*HEADER    HORMONE/GROWTH FACTOR                   11-DEC-03   1RU5              
*TITLE     SOLUTION STRUCTURE OF PORCINE PEPTIDE YY (PPYY)                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDE YY;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PYY, PEPTIDE TYROSINE TYROSINE;                             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   3 ORGANISM_COMMON: PIG;                                                
*SOURCE   4 GENE: PYY;                                                           
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PUBK19                                    
*KEYWDS    ALPHA-HELICAL, PP-FOLD                                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.LERCH, M.MAYRHOFER, O.ZERBE                                         
*REVDAT   1   08-JUN-04 1RU5    0                                                
# 2912 atoms read from pdb file ../step3/PYY1.pdb.
# 1 TYR PSI:  (1 TYR N)-(1 TYR CA)-(1 TYR C)-(2 PRO N)  55.0 185.0
 &rst     iat =     1,     5,    22,    24,
   r1 =  54.0, r2 =  55.0, r3 = 185.0, r4 = 186.0,
   rk2 =   2.0, rk3 =   2.0,    &end

# 2 PRO PSI:  (2 PRO N)-(2 PRO CA)-(2 PRO C)-(3 ALA N) 155.0 195.0
 &rst     iat =    24,    34,    36,    38,
   r1 = 154.0, r2 = 155.0, r3 = 195.0, r4 = 196.0,
 &end

# 3 ALA PHI:  (2 PRO C)-(3 ALA N)-(3 ALA CA)-(3 ALA C)  25.0 335.0
 &rst     iat =    36,    38,    40,    46,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 3 ALA PHI:  (2 PRO C)-(3 ALA N)-(3 ALA CA)-(3 ALA C) -205.0  95.0
 &rst     iat =    36,    38,    40,    46,
   r1 = -206.0, r2 = -205.0, r3 =  95.0, r4 =  96.0,
 &end

# 3 ALA PSI:  (3 ALA N)-(3 ALA CA)-(3 ALA C)-(4 LYS N)  45.0 195.0
 &rst     iat =    38,    40,    46,    48,
   r1 =  44.0, r2 =  45.0, r3 = 195.0, r4 = 196.0,
 &end

# 4 LYS PHI:  (3 ALA C)-(4 LYS N)-(4 LYS CA)-(4 LYS C)  25.0 335.0
 &rst     iat =    46,    48,    50,    68,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 4 LYS PHI:  (3 ALA C)-(4 LYS N)-(4 LYS CA)-(4 LYS C) -205.0  95.0
 &rst     iat =    46,    48,    50,    68,
   r1 = -206.0, r2 = -205.0, r3 =  95.0, r4 =  96.0,
 &end

# 4 LYS CHI2:  (4 LYS CA)-(4 LYS CB)-(4 LYS CG)-(4 LYS CD)  15.0 345.0
 &rst     iat =    50,    52,    55,    58,
   r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
 &end

# 4 LYS PSI:  (4 LYS N)-(4 LYS CA)-(4 LYS C)-(5 PRO N) -305.0 -45.0
 &rst     iat =    48,    50,    68,    70,
   r1 = -306.0, r2 = -305.0, r3 = -45.0, r4 = -44.0,
 &end

# 4 LYS PSI:  (4 LYS N)-(4 LYS CA)-(4 LYS C)-(5 PRO N) -65.0 185.0
 &rst     iat =    48,    50,    68,    70,
   r1 = -66.0, r2 = -65.0, r3 = 185.0, r4 = 186.0,
 &end

# 5 PRO PSI:  (5 PRO N)-(5 PRO CA)-(5 PRO C)-(6 GLU N)  55.0 185.0
 &rst     iat =    70,    80,    82,    84,
   r1 =  54.0, r2 =  55.0, r3 = 185.0, r4 = 186.0,
 &end

# 6 GLU PHI:  (5 PRO C)-(6 GLU N)-(6 GLU CA)-(6 GLU C) -75.0 -35.0
 &rst     iat =    82,    84,    86,    97,
   r1 = -76.0, r2 = -75.0, r3 = -35.0, r4 = -34.0,
 &end

# 6 GLU CHI1:  (6 GLU N)-(6 GLU CA)-(6 GLU CB)-(6 GLU CG) -165.0 -135.0
 &rst     iat =    84,    86,    88,    91,
   r1 = -166.0, r2 = -165.0, r3 = -135.0, r4 = -134.0,
 &end

# 6 GLU CHI2:  (6 GLU CA)-(6 GLU CB)-(6 GLU CG)-(6 GLU CD)  45.0 275.0
 &rst     iat =    86,    88,    91,    94,
   r1 =  44.0, r2 =  45.0, r3 = 275.0, r4 = 276.0,
 &end

# 6 GLU PSI:  (6 GLU N)-(6 GLU CA)-(6 GLU C)-(7 ALA N) 155.0 175.0
 &rst     iat =    84,    86,    97,    99,
   r1 = 154.0, r2 = 155.0, r3 = 175.0, r4 = 176.0,
 &end

# 7 ALA PHI:  (6 GLU C)-(7 ALA N)-(7 ALA CA)-(7 ALA C) -285.0 -45.0
 &rst     iat =    97,    99,   101,   107,
   r1 = -286.0, r2 = -285.0, r3 = -45.0, r4 = -44.0,
 &end

# 7 ALA PHI:  (6 GLU C)-(7 ALA N)-(7 ALA CA)-(7 ALA C) -195.0  95.0
 &rst     iat =    97,    99,   101,   107,
   r1 = -196.0, r2 = -195.0, r3 =  95.0, r4 =  96.0,
 &end

# 7 ALA PHI:  (6 GLU C)-(7 ALA N)-(7 ALA CA)-(7 ALA C) -85.0 205.0
 &rst     iat =    97,    99,   101,   107,
   r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
 &end

# 7 ALA PSI:  (7 ALA N)-(7 ALA CA)-(7 ALA C)-(8 PRO N)  95.0 185.0
 &rst     iat =    99,   101,   107,   109,
   r1 =  94.0, r2 =  95.0, r3 = 185.0, r4 = 186.0,
 &end

# 8 PRO PSI:  (8 PRO N)-(8 PRO CA)-(8 PRO C)-(9 GLY N)  55.0 185.0
 &rst     iat =   109,   119,   121,   123,
   r1 =  54.0, r2 =  55.0, r3 = 185.0, r4 = 186.0,
 &end

# 9 GLY PHI:  (8 PRO C)-(9 GLY N)-(9 GLY CA)-(9 GLY C)  25.0 335.0
 &rst     iat =   121,   123,   125,   128,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 9 GLY PSI:  (9 GLY N)-(9 GLY CA)-(9 GLY C)-(10 GLU N) 135.0 225.0
 &rst     iat =   123,   125,   128,   130,
   r1 = 134.0, r2 = 135.0, r3 = 225.0, r4 = 226.0,
 &end

# 10 GLU PHI:  (9 GLY C)-(10 GLU N)-(10 GLU CA)-(10 GLU C)  25.0 315.0
 &rst     iat =   128,   130,   132,   143,
   r1 =  24.0, r2 =  25.0, r3 = 315.0, r4 = 316.0,
 &end

# 10 GLU PHI:  (9 GLY C)-(10 GLU N)-(10 GLU CA)-(10 GLU C) -285.0  45.0
 &rst     iat =   128,   130,   132,   143,
   r1 = -286.0, r2 = -285.0, r3 =  45.0, r4 =  46.0,
 &end

# 10 GLU PHI:  (9 GLY C)-(10 GLU N)-(10 GLU CA)-(10 GLU C) -195.0  95.0
 &rst     iat =   128,   130,   132,   143,
   r1 = -196.0, r2 = -195.0, r3 =  95.0, r4 =  96.0,
 &end

# 10 GLU PHI:  (9 GLY C)-(10 GLU N)-(10 GLU CA)-(10 GLU C) -75.0 205.0
 &rst     iat =   128,   130,   132,   143,
   r1 = -76.0, r2 = -75.0, r3 = 205.0, r4 = 206.0,
 &end

# 10 GLU CHI1:  (10 GLU N)-(10 GLU CA)-(10 GLU CB)-(10 GLU CG) -225.0 105.0
 &rst     iat =   130,   132,   134,   137,
   r1 = -226.0, r2 = -225.0, r3 = 105.0, r4 = 106.0,
 &end

# 10 GLU CHI2:  (10 GLU CA)-(10 GLU CB)-(10 GLU CG)-(10 GLU CD)  15.0 345.0
 &rst     iat =   132,   134,   137,   140,
   r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
 &end

# 10 GLU PSI:  (10 GLU N)-(10 GLU CA)-(10 GLU C)-(11 ASP N) -25.0 105.0
 &rst     iat =   130,   132,   143,   145,
   r1 = -26.0, r2 = -25.0, r3 = 105.0, r4 = 106.0,
 &end

# 11 ASP PHI:  (10 GLU C)-(11 ASP N)-(11 ASP CA)-(11 ASP C)  45.0 275.0
 &rst     iat =   143,   145,   147,   155,
   r1 =  44.0, r2 =  45.0, r3 = 275.0, r4 = 276.0,
 &end

# 11 ASP PHI:  (10 GLU C)-(11 ASP N)-(11 ASP CA)-(11 ASP C) -155.0  75.0
 &rst     iat =   143,   145,   147,   155,
   r1 = -156.0, r2 = -155.0, r3 =  75.0, r4 =  76.0,
 &end

# 11 ASP CHI1:  (11 ASP N)-(11 ASP CA)-(11 ASP CB)-(11 ASP CG) -225.0 105.0
 &rst     iat =   145,   147,   149,   152,
   r1 = -226.0, r2 = -225.0, r3 = 105.0, r4 = 106.0,
 &end

# 11 ASP PSI:  (11 ASP N)-(11 ASP CA)-(11 ASP C)-(12 ALA N)   5.0 115.0
 &rst     iat =   145,   147,   155,   157,
   r1 =   4.0, r2 =   5.0, r3 = 115.0, r4 = 116.0,
 &end

# 12 ALA PHI:  (11 ASP C)-(12 ALA N)-(12 ALA CA)-(12 ALA C)  35.0 295.0
 &rst     iat =   155,   157,   159,   165,
   r1 =  34.0, r2 =  35.0, r3 = 295.0, r4 = 296.0,
 &end

# 12 ALA PHI:  (11 ASP C)-(12 ALA N)-(12 ALA CA)-(12 ALA C) -185.0  95.0
 &rst     iat =   155,   157,   159,   165,
   r1 = -186.0, r2 = -185.0, r3 =  95.0, r4 =  96.0,
 &end

# 12 ALA PHI:  (11 ASP C)-(12 ALA N)-(12 ALA CA)-(12 ALA C) -85.0 205.0
 &rst     iat =   155,   157,   159,   165,
   r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
 &end

# 12 ALA PSI:  (12 ALA N)-(12 ALA CA)-(12 ALA C)-(13 SER N)  55.0 125.0
 &rst     iat =   157,   159,   165,   167,
   r1 =  54.0, r2 =  55.0, r3 = 125.0, r4 = 126.0,
 &end

# 13 SER PHI:  (12 ALA C)-(13 SER N)-(13 SER CA)-(13 SER C)  45.0 305.0
 &rst     iat =   165,   167,   169,   176,
   r1 =  44.0, r2 =  45.0, r3 = 305.0, r4 = 306.0,
 &end

# 13 SER PHI:  (12 ALA C)-(13 SER N)-(13 SER CA)-(13 SER C) -185.0  95.0
 &rst     iat =   165,   167,   169,   176,
   r1 = -186.0, r2 = -185.0, r3 =  95.0, r4 =  96.0,
 &end

# 13 SER PHI:  (12 ALA C)-(13 SER N)-(13 SER CA)-(13 SER C) -85.0 205.0
 &rst     iat =   165,   167,   169,   176,
   r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
 &end

# 13 SER CHI1:  (13 SER N)-(13 SER CA)-(13 SER CB)-(13 SER OG)  -5.0 125.0
 &rst     iat =   167,   169,   171,   174,
   r1 =  -6.0, r2 =  -5.0, r3 = 125.0, r4 = 126.0,
 &end

# 13 SER PSI:  (13 SER N)-(13 SER CA)-(13 SER C)-(14 PRO N)  95.0 185.0
 &rst     iat =   167,   169,   176,   178,
   r1 =  94.0, r2 =  95.0, r3 = 185.0, r4 = 186.0,
 &end

# 14 PRO PSI:  (14 PRO N)-(14 PRO CA)-(14 PRO C)-(15 GLU N) -315.0  15.0
 &rst     iat =   178,   188,   190,   192,
   r1 = -316.0, r2 = -315.0, r3 =  15.0, r4 =  16.0,
 &end

# 14 PRO PSI:  (14 PRO N)-(14 PRO CA)-(14 PRO C)-(15 GLU N) -95.0 205.0
 &rst     iat =   178,   188,   190,   192,
   r1 = -96.0, r2 = -95.0, r3 = 205.0, r4 = 206.0,
 &end

# 14 PRO PSI:  (14 PRO N)-(14 PRO CA)-(14 PRO C)-(15 GLU N) -45.0 285.0
 &rst     iat =   178,   188,   190,   192,
   r1 = -46.0, r2 = -45.0, r3 = 285.0, r4 = 286.0,
 &end

# 15 GLU PHI:  (14 PRO C)-(15 GLU N)-(15 GLU CA)-(15 GLU C) -85.0 -45.0
 &rst     iat =   190,   192,   194,   205,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 15 GLU CHI1:  (15 GLU N)-(15 GLU CA)-(15 GLU CB)-(15 GLU CG) -225.0 -115.0
 &rst     iat =   192,   194,   196,   199,
   r1 = -226.0, r2 = -225.0, r3 = -115.0, r4 = -114.0,
 &end

# 15 GLU CHI2:  (15 GLU CA)-(15 GLU CB)-(15 GLU CG)-(15 GLU CD) -335.0 -15.0
 &rst     iat =   194,   196,   199,   202,
   r1 = -336.0, r2 = -335.0, r3 = -15.0, r4 = -14.0,
 &end

# 15 GLU PSI:  (15 GLU N)-(15 GLU CA)-(15 GLU C)-(16 GLU N) -85.0  -5.0
 &rst     iat =   192,   194,   205,   207,
   r1 = -86.0, r2 = -85.0, r3 =  -5.0, r4 =  -4.0,
 &end

# 16 GLU PHI:  (15 GLU C)-(16 GLU N)-(16 GLU CA)-(16 GLU C) -145.0 -35.0
 &rst     iat =   205,   207,   209,   220,
   r1 = -146.0, r2 = -145.0, r3 = -35.0, r4 = -34.0,
 &end

# 16 GLU CHI1:  (16 GLU N)-(16 GLU CA)-(16 GLU CB)-(16 GLU CG) -195.0 -125.0
 &rst     iat =   207,   209,   211,   214,
   r1 = -196.0, r2 = -195.0, r3 = -125.0, r4 = -124.0,
 &end

# 16 GLU CHI2:  (16 GLU CA)-(16 GLU CB)-(16 GLU CG)-(16 GLU CD)  25.0 335.0
 &rst     iat =   209,   211,   214,   217,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 16 GLU PSI:  (16 GLU N)-(16 GLU CA)-(16 GLU C)-(17 LEU N) -85.0 -25.0
 &rst     iat =   207,   209,   220,   222,
   r1 = -86.0, r2 = -85.0, r3 = -25.0, r4 = -24.0,
 &end

# 17 LEU PHI:  (16 GLU C)-(17 LEU N)-(17 LEU CA)-(17 LEU C)  25.0 315.0
 &rst     iat =   220,   222,   224,   239,
   r1 =  24.0, r2 =  25.0, r3 = 315.0, r4 = 316.0,
 &end

# 17 LEU PHI:  (16 GLU C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) -185.0  95.0
 &rst     iat =   220,   222,   224,   239,
   r1 = -186.0, r2 = -185.0, r3 =  95.0, r4 =  96.0,
 &end

# 17 LEU PHI:  (16 GLU C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) -85.0 205.0
 &rst     iat =   220,   222,   224,   239,
   r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
 &end

# 17 LEU CHI1:  (17 LEU N)-(17 LEU CA)-(17 LEU CB)-(17 LEU CG) -345.0   5.0
 &rst     iat =   222,   224,   226,   229,
   r1 = -346.0, r2 = -345.0, r3 =   5.0, r4 =   6.0,
 &end

# 17 LEU PSI:  (17 LEU N)-(17 LEU CA)-(17 LEU C)-(18 SER N) -95.0 105.0
 &rst     iat =   222,   224,   239,   241,
   r1 = -96.0, r2 = -95.0, r3 = 105.0, r4 = 106.0,
 &end

# 18 SER PHI:  (17 LEU C)-(18 SER N)-(18 SER CA)-(18 SER C)  35.0 295.0
 &rst     iat =   239,   241,   243,   250,
   r1 =  34.0, r2 =  35.0, r3 = 295.0, r4 = 296.0,
 &end

# 18 SER PHI:  (17 LEU C)-(18 SER N)-(18 SER CA)-(18 SER C) -285.0  45.0
 &rst     iat =   239,   241,   243,   250,
   r1 = -286.0, r2 = -285.0, r3 =  45.0, r4 =  46.0,
 &end

# 18 SER PHI:  (17 LEU C)-(18 SER N)-(18 SER CA)-(18 SER C) -195.0  95.0
 &rst     iat =   239,   241,   243,   250,
   r1 = -196.0, r2 = -195.0, r3 =  95.0, r4 =  96.0,
 &end

# 18 SER PHI:  (17 LEU C)-(18 SER N)-(18 SER CA)-(18 SER C) -75.0 195.0
 &rst     iat =   239,   241,   243,   250,
   r1 = -76.0, r2 = -75.0, r3 = 195.0, r4 = 196.0,
 &end

# 18 SER PSI:  (18 SER N)-(18 SER CA)-(18 SER C)-(19 ARG N) -15.0  95.0
 &rst     iat =   241,   243,   250,   252,
   r1 = -16.0, r2 = -15.0, r3 =  95.0, r4 =  96.0,
 &end

# 19 ARG PHI:  (18 SER C)-(19 ARG N)-(19 ARG CA)-(19 ARG C)  35.0 305.0
 &rst     iat =   250,   252,   254,   274,
   r1 =  34.0, r2 =  35.0, r3 = 305.0, r4 = 306.0,
 &end

# 19 ARG PHI:  (18 SER C)-(19 ARG N)-(19 ARG CA)-(19 ARG C) -185.0  45.0
 &rst     iat =   250,   252,   254,   274,
   r1 = -186.0, r2 = -185.0, r3 =  45.0, r4 =  46.0,
 &end

# 19 ARG PHI:  (18 SER C)-(19 ARG N)-(19 ARG CA)-(19 ARG C) -85.0 215.0
 &rst     iat =   250,   252,   254,   274,
   r1 = -86.0, r2 = -85.0, r3 = 215.0, r4 = 216.0,
 &end

# 19 ARG CHI1:  (19 ARG N)-(19 ARG CA)-(19 ARG CB)-(19 ARG CG)  15.0  95.0
 &rst     iat =   252,   254,   256,   259,
   r1 =  14.0, r2 =  15.0, r3 =  95.0, r4 =  96.0,
 &end

# 19 ARG CHI2:  (19 ARG CA)-(19 ARG CB)-(19 ARG CG)-(19 ARG CD)  25.0 335.0
 &rst     iat =   254,   256,   259,   262,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 19 ARG PSI:  (19 ARG N)-(19 ARG CA)-(19 ARG C)-(20 TYR N) -35.0  85.0
 &rst     iat =   252,   254,   274,   276,
   r1 = -36.0, r2 = -35.0, r3 =  85.0, r4 =  86.0,
 &end

# 20 TYR PHI:  (19 ARG C)-(20 TYR N)-(20 TYR CA)-(20 TYR C) -95.0 -55.0
 &rst     iat =   274,   276,   278,   295,
   r1 = -96.0, r2 = -95.0, r3 = -55.0, r4 = -54.0,
 &end

# 20 TYR CHI1:  (20 TYR N)-(20 TYR CA)-(20 TYR CB)-(20 TYR CG) 135.0 215.0
 &rst     iat =   276,   278,   280,   283,
   r1 = 134.0, r2 = 135.0, r3 = 215.0, r4 = 216.0,
 &end

# 20 TYR PSI:  (20 TYR N)-(20 TYR CA)-(20 TYR C)-(21 TYR N) -85.0  35.0
 &rst     iat =   276,   278,   295,   297,
   r1 = -86.0, r2 = -85.0, r3 =  35.0, r4 =  36.0,
 &end

# 21 TYR PHI:  (20 TYR C)-(21 TYR N)-(21 TYR CA)-(21 TYR C)  25.0 335.0
 &rst     iat =   295,   297,   299,   316,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 21 TYR PHI:  (20 TYR C)-(21 TYR N)-(21 TYR CA)-(21 TYR C) -185.0  55.0
 &rst     iat =   295,   297,   299,   316,
   r1 = -186.0, r2 = -185.0, r3 =  55.0, r4 =  56.0,
 &end

# 21 TYR CHI1:  (21 TYR N)-(21 TYR CA)-(21 TYR CB)-(21 TYR CG) -335.0 -15.0
 &rst     iat =   297,   299,   301,   304,
   r1 = -336.0, r2 = -335.0, r3 = -15.0, r4 = -14.0,
 &end

# 21 TYR PSI:  (21 TYR N)-(21 TYR CA)-(21 TYR C)-(22 ALA N) -95.0  95.0
 &rst     iat =   297,   299,   316,   318,
   r1 = -96.0, r2 = -95.0, r3 =  95.0, r4 =  96.0,
 &end

# 22 ALA PHI:  (21 TYR C)-(22 ALA N)-(22 ALA CA)-(22 ALA C)  25.0 325.0
 &rst     iat =   316,   318,   320,   326,
   r1 =  24.0, r2 =  25.0, r3 = 325.0, r4 = 326.0,
 &end

# 22 ALA PHI:  (21 TYR C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -275.0  35.0
 &rst     iat =   316,   318,   320,   326,
   r1 = -276.0, r2 = -275.0, r3 =  35.0, r4 =  36.0,
 &end

# 22 ALA PHI:  (21 TYR C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -205.0  95.0
 &rst     iat =   316,   318,   320,   326,
   r1 = -206.0, r2 = -205.0, r3 =  95.0, r4 =  96.0,
 &end

# 22 ALA PHI:  (21 TYR C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -75.0 195.0
 &rst     iat =   316,   318,   320,   326,
   r1 = -76.0, r2 = -75.0, r3 = 195.0, r4 = 196.0,
 &end

# 22 ALA PSI:  (22 ALA N)-(22 ALA CA)-(22 ALA C)-(23 SER N) -105.0 105.0
 &rst     iat =   318,   320,   326,   328,
   r1 = -106.0, r2 = -105.0, r3 = 105.0, r4 = 106.0,
 &end

# 23 SER PHI:  (22 ALA C)-(23 SER N)-(23 SER CA)-(23 SER C)  25.0 335.0
 &rst     iat =   326,   328,   330,   337,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 23 SER PHI:  (22 ALA C)-(23 SER N)-(23 SER CA)-(23 SER C) -175.0  55.0
 &rst     iat =   326,   328,   330,   337,
   r1 = -176.0, r2 = -175.0, r3 =  55.0, r4 =  56.0,
 &end

# 23 SER CHI1:  (23 SER N)-(23 SER CA)-(23 SER CB)-(23 SER OG) -275.0  25.0
 &rst     iat =   328,   330,   332,   335,
   r1 = -276.0, r2 = -275.0, r3 =  25.0, r4 =  26.0,
 &end

# 23 SER CHI1:  (23 SER N)-(23 SER CA)-(23 SER CB)-(23 SER OG) -25.0 275.0
 &rst     iat =   328,   330,   332,   335,
   r1 = -26.0, r2 = -25.0, r3 = 275.0, r4 = 276.0,
 &end

# 23 SER PSI:  (23 SER N)-(23 SER CA)-(23 SER C)-(24 LEU N) -105.0  95.0
 &rst     iat =   328,   330,   337,   339,
   r1 = -106.0, r2 = -105.0, r3 =  95.0, r4 =  96.0,
 &end

# 24 LEU PHI:  (23 SER C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) -325.0 -25.0
 &rst     iat =   337,   339,   341,   356,
   r1 = -326.0, r2 = -325.0, r3 = -25.0, r4 = -24.0,
 &end

# 24 LEU PHI:  (23 SER C)-(24 LEU N)-(24 LEU CA)-(24 LEU C) -205.0  95.0
 &rst     iat =   337,   339,   341,   356,
   r1 = -206.0, r2 = -205.0, r3 =  95.0, r4 =  96.0,
 &end

# 24 LEU CHI1:  (24 LEU N)-(24 LEU CA)-(24 LEU CB)-(24 LEU CG) -125.0 135.0
 &rst     iat =   339,   341,   343,   346,
   r1 = -126.0, r2 = -125.0, r3 = 135.0, r4 = 136.0,
 &end

# 24 LEU PSI:  (24 LEU N)-(24 LEU CA)-(24 LEU C)-(25 ARG N) -115.0 115.0
 &rst     iat =   339,   341,   356,   358,
   r1 = -116.0, r2 = -115.0, r3 = 115.0, r4 = 116.0,
 &end

# 25 ARG PHI:  (24 LEU C)-(25 ARG N)-(25 ARG CA)-(25 ARG C)  35.0 315.0
 &rst     iat =   356,   358,   360,   380,
   r1 =  34.0, r2 =  35.0, r3 = 315.0, r4 = 316.0,
 &end

# 25 ARG PHI:  (24 LEU C)-(25 ARG N)-(25 ARG CA)-(25 ARG C) -285.0  45.0
 &rst     iat =   356,   358,   360,   380,
   r1 = -286.0, r2 = -285.0, r3 =  45.0, r4 =  46.0,
 &end

# 25 ARG PHI:  (24 LEU C)-(25 ARG N)-(25 ARG CA)-(25 ARG C) -195.0  95.0
 &rst     iat =   356,   358,   360,   380,
   r1 = -196.0, r2 = -195.0, r3 =  95.0, r4 =  96.0,
 &end

# 25 ARG PHI:  (24 LEU C)-(25 ARG N)-(25 ARG CA)-(25 ARG C) -85.0 205.0
 &rst     iat =   356,   358,   360,   380,
   r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
 &end

# 25 ARG CHI1:  (25 ARG N)-(25 ARG CA)-(25 ARG CB)-(25 ARG CG) -215.0  45.0
 &rst     iat =   358,   360,   362,   365,
   r1 = -216.0, r2 = -215.0, r3 =  45.0, r4 =  46.0,
 &end

# 25 ARG CHI2:  (25 ARG CA)-(25 ARG CB)-(25 ARG CG)-(25 ARG CD)  15.0 345.0
 &rst     iat =   360,   362,   365,   368,
   r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
 &end

# 25 ARG PSI:  (25 ARG N)-(25 ARG CA)-(25 ARG C)-(26 HID N) -95.0  95.0
 &rst     iat =   358,   360,   380,   382,
   r1 = -96.0, r2 = -95.0, r3 =  95.0, r4 =  96.0,
 &end

# 26 HIS PHI:  (25 ARG C)-(26 HID N)-(26 HID CA)-(26 HID C) -85.0 -45.0
 &rst     iat =   380,   382,   384,   397,
   r1 = -86.0, r2 = -85.0, r3 = -45.0, r4 = -44.0,
 &end

# 26 HIS CHI1:  (26 HID N)-(26 HID CA)-(26 HID CB)-(26 HID CG) -225.0 -125.0
 &rst     iat =   382,   384,   386,   389,
   r1 = -226.0, r2 = -225.0, r3 = -125.0, r4 = -124.0,
 &end

# 26 HIS PSI:  (26 HID N)-(26 HID CA)-(26 HID C)-(27 TYR N) -45.0 -15.0
 &rst     iat =   382,   384,   397,   399,
   r1 = -46.0, r2 = -45.0, r3 = -15.0, r4 = -14.0,
 &end

# 27 TYR PHI:  (26 HID C)-(27 TYR N)-(27 TYR CA)-(27 TYR C)  25.0 305.0
 &rst     iat =   397,   399,   401,   418,
   r1 =  24.0, r2 =  25.0, r3 = 305.0, r4 = 306.0,
 &end

# 27 TYR PHI:  (26 HID C)-(27 TYR N)-(27 TYR CA)-(27 TYR C) -185.0  85.0
 &rst     iat =   397,   399,   401,   418,
   r1 = -186.0, r2 = -185.0, r3 =  85.0, r4 =  86.0,
 &end

# 27 TYR PHI:  (26 HID C)-(27 TYR N)-(27 TYR CA)-(27 TYR C) -85.0 205.0
 &rst     iat =   397,   399,   401,   418,
   r1 = -86.0, r2 = -85.0, r3 = 205.0, r4 = 206.0,
 &end

# 27 TYR PSI:  (27 TYR N)-(27 TYR CA)-(27 TYR C)-(28 LEU N) -95.0  95.0
 &rst     iat =   399,   401,   418,   420,
   r1 = -96.0, r2 = -95.0, r3 =  95.0, r4 =  96.0,
 &end

# 29 ASN PHI:  (28 LEU C)-(29 ASN N)-(29 ASN CA)-(29 ASN C)  65.0 295.0
 &rst     iat =   437,   439,   441,   451,
   r1 =  64.0, r2 =  65.0, r3 = 295.0, r4 = 296.0,
 &end

# 29 ASN PHI:  (28 LEU C)-(29 ASN N)-(29 ASN CA)-(29 ASN C) -185.0  95.0
 &rst     iat =   437,   439,   441,   451,
   r1 = -186.0, r2 = -185.0, r3 =  95.0, r4 =  96.0,
 &end

# 29 ASN PHI:  (28 LEU C)-(29 ASN N)-(29 ASN CA)-(29 ASN C) -95.0 215.0
 &rst     iat =   437,   439,   441,   451,
   r1 = -96.0, r2 = -95.0, r3 = 215.0, r4 = 216.0,
 &end

# 29 ASN CHI1:  (29 ASN N)-(29 ASN CA)-(29 ASN CB)-(29 ASN CG) -205.0  95.0
 &rst     iat =   439,   441,   443,   446,
   r1 = -206.0, r2 = -205.0, r3 =  95.0, r4 =  96.0,
 &end

# 29 ASN CHI2:  (29 ASN CA)-(29 ASN CB)-(29 ASN CG)-(29 ASN OD1) -165.0 155.0
 &rst     iat =   441,   443,   446,   447,
   r1 = -166.0, r2 = -165.0, r3 = 155.0, r4 = 156.0,
 &end

# 29 ASN PSI:  (29 ASN N)-(29 ASN CA)-(29 ASN C)-(30 LEU N) -25.0  65.0
 &rst     iat =   439,   441,   451,   453,
   r1 = -26.0, r2 = -25.0, r3 =  65.0, r4 =  66.0,
 &end

# 30 LEU PHI:  (29 ASN C)-(30 LEU N)-(30 LEU CA)-(30 LEU C) -125.0 -35.0
 &rst     iat =   451,   453,   455,   470,
   r1 = -126.0, r2 = -125.0, r3 = -35.0, r4 = -34.0,
 &end

# 30 LEU CHI1:  (30 LEU N)-(30 LEU CA)-(30 LEU CB)-(30 LEU CG) -245.0 -105.0
 &rst     iat =   453,   455,   457,   460,
   r1 = -246.0, r2 = -245.0, r3 = -105.0, r4 = -104.0,
 &end

# 30 LEU CHI1:  (30 LEU N)-(30 LEU CA)-(30 LEU CB)-(30 LEU CG) -135.0 155.0
 &rst     iat =   453,   455,   457,   460,
   r1 = -136.0, r2 = -135.0, r3 = 155.0, r4 = 156.0,
 &end

# 30 LEU CHI2:  (30 LEU CA)-(30 LEU CB)-(30 LEU CG)-(30 LEU CD1)  75.0 175.0
 &rst     iat =   455,   457,   460,   462,
   r1 =  74.0, r2 =  75.0, r3 = 175.0, r4 = 176.0,
 &end

# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 VAL N) -95.0 -25.0
 &rst     iat =   453,   455,   470,   472,
   r1 = -96.0, r2 = -95.0, r3 = -25.0, r4 = -24.0,
 &end

# 31 VAL PHI:  (30 LEU C)-(31 VAL N)-(31 VAL CA)-(31 VAL C) -135.0 -65.0
 &rst     iat =   470,   472,   474,   486,
   r1 = -136.0, r2 = -135.0, r3 = -65.0, r4 = -64.0,
 &end

# 31 VAL CHI1:  (31 VAL N)-(31 VAL CA)-(31 VAL CB)-(31 VAL CG1) 135.0 225.0
 &rst     iat =   472,   474,   476,   478,
   r1 = 134.0, r2 = 135.0, r3 = 225.0, r4 = 226.0,
 &end

# 31 VAL CHI1:  (31 VAL N)-(31 VAL CA)-(31 VAL CB)-(31 VAL CG1) -175.0 175.0
 &rst     iat =   472,   474,   476,   478,
   r1 = -176.0, r2 = -175.0, r3 = 175.0, r4 = 176.0,
 &end

# 31 VAL PSI:  (31 VAL N)-(31 VAL CA)-(31 VAL C)-(32 THR N) -15.0   5.0
 &rst     iat =   472,   474,   486,   488,
   r1 = -16.0, r2 = -15.0, r3 =   5.0, r4 =   6.0,
 &end

# 32 THR PHI:  (31 VAL C)-(32 THR N)-(32 THR CA)-(32 THR C)  25.0 295.0
 &rst     iat =   486,   488,   490,   500,
   r1 =  24.0, r2 =  25.0, r3 = 295.0, r4 = 296.0,
 &end

# 32 THR PHI:  (31 VAL C)-(32 THR N)-(32 THR CA)-(32 THR C) -205.0  85.0
 &rst     iat =   486,   488,   490,   500,
   r1 = -206.0, r2 = -205.0, r3 =  85.0, r4 =  86.0,
 &end

# 32 THR CHI1:  (32 THR N)-(32 THR CA)-(32 THR CB)-(32 THR OG1)   5.0 355.0
 &rst     iat =   488,   490,   492,   498,
   r1 =   4.0, r2 =   5.0, r3 = 355.0, r4 = 356.0,
 &end

# 32 THR CHI1:  (32 THR N)-(32 THR CA)-(32 THR CB)-(32 THR OG1) -225.0 105.0
 &rst     iat =   488,   490,   492,   498,
   r1 = -226.0, r2 = -225.0, r3 = 105.0, r4 = 106.0,
 &end

# 32 THR CHI21:  (32 THR CA)-(32 THR CB)-(32 THR CG2)-(32 THR 1HG2)  15.0 345.0
 &rst     iat =   490,   492,   494,   495,
   r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
 &end

# 32 THR CHI21:  (32 THR CA)-(32 THR CB)-(32 THR CG2)-(32 THR 1HG2) -105.0 225.0
 &rst     iat =   490,   492,   494,   495,
   r1 = -106.0, r2 = -105.0, r3 = 225.0, r4 = 226.0,
 &end

# 32 THR PSI:  (32 THR N)-(32 THR CA)-(32 THR C)-(33 ARG N)  -5.0  95.0
 &rst     iat =   488,   490,   500,   502,
   r1 =  -6.0, r2 =  -5.0, r3 =  95.0, r4 =  96.0,
 &end

# 33 ARG PHI:  (32 THR C)-(33 ARG N)-(33 ARG CA)-(33 ARG C)  25.0 285.0
 &rst     iat =   500,   502,   504,   524,
   r1 =  24.0, r2 =  25.0, r3 = 285.0, r4 = 286.0,
 &end

# 33 ARG PHI:  (32 THR C)-(33 ARG N)-(33 ARG CA)-(33 ARG C) -215.0  95.0
 &rst     iat =   500,   502,   504,   524,
   r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
 &end

# 33 ARG CHI1:  (33 ARG N)-(33 ARG CA)-(33 ARG CB)-(33 ARG CG) -215.0  95.0
 &rst     iat =   502,   504,   506,   509,
   r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
 &end

# 33 ARG CHI2:  (33 ARG CA)-(33 ARG CB)-(33 ARG CG)-(33 ARG CD)  15.0 345.0
 &rst     iat =   504,   506,   509,   512,
   r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
 &end

# 33 ARG PSI:  (33 ARG N)-(33 ARG CA)-(33 ARG C)-(34 GLN N)  15.0 105.0
 &rst     iat =   502,   504,   524,   526,
   r1 =  14.0, r2 =  15.0, r3 = 105.0, r4 = 106.0,
 &end

# 34 GLN PHI:  (33 ARG C)-(34 GLN N)-(34 GLN CA)-(34 GLN C)  25.0 335.0
 &rst     iat =   524,   526,   528,   541,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 34 GLN PHI:  (33 ARG C)-(34 GLN N)-(34 GLN CA)-(34 GLN C) -165.0  45.0
 &rst     iat =   524,   526,   528,   541,
   r1 = -166.0, r2 = -165.0, r3 =  45.0, r4 =  46.0,
 &end

# 34 GLN CHI1:  (34 GLN N)-(34 GLN CA)-(34 GLN CB)-(34 GLN CG) -225.0 -105.0
 &rst     iat =   526,   528,   530,   533,
   r1 = -226.0, r2 = -225.0, r3 = -105.0, r4 = -104.0,
 &end

# 34 GLN CHI2:  (34 GLN CA)-(34 GLN CB)-(34 GLN CG)-(34 GLN CD)  25.0 335.0
 &rst     iat =   528,   530,   533,   536,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 34 GLN PSI:  (34 GLN N)-(34 GLN CA)-(34 GLN C)-(35 ARG N)  -5.0 225.0
 &rst     iat =   526,   528,   541,   543,
   r1 =  -6.0, r2 =  -5.0, r3 = 225.0, r4 = 226.0,
 &end

# 35 ARG PHI:  (34 GLN C)-(35 ARG N)-(35 ARG CA)-(35 ARG C)  25.0 335.0
 &rst     iat =   541,   543,   545,   565,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 35 ARG PHI:  (34 GLN C)-(35 ARG N)-(35 ARG CA)-(35 ARG C) -215.0  95.0
 &rst     iat =   541,   543,   545,   565,
   r1 = -216.0, r2 = -215.0, r3 =  95.0, r4 =  96.0,
 &end

# 35 ARG CHI1:  (35 ARG N)-(35 ARG CA)-(35 ARG CB)-(35 ARG CG) -215.0 105.0
 &rst     iat =   543,   545,   547,   550,
   r1 = -216.0, r2 = -215.0, r3 = 105.0, r4 = 106.0,
 &end

# 35 ARG CHI2:  (35 ARG CA)-(35 ARG CB)-(35 ARG CG)-(35 ARG CD)  15.0 345.0
 &rst     iat =   545,   547,   550,   553,
   r1 =  14.0, r2 =  15.0, r3 = 345.0, r4 = 346.0,
 &end

# 35 ARG PSI:  (35 ARG N)-(35 ARG CA)-(35 ARG C)-(36 TYR N)   5.0 215.0
 &rst     iat =   543,   545,   565,   567,
   r1 =   4.0, r2 =   5.0, r3 = 215.0, r4 = 216.0,
 &end

# 36 TYR PHI:  (35 ARG C)-(36 TYR N)-(36 TYR CA)-(36 TYR C)  25.0 335.0
 &rst     iat =   565,   567,   569,   586,
   r1 =  24.0, r2 =  25.0, r3 = 335.0, r4 = 336.0,
 &end

# 36 TYR PHI:  (35 ARG C)-(36 TYR N)-(36 TYR CA)-(36 TYR C) -185.0  55.0
 &rst     iat =   565,   567,   569,   586,
   r1 = -186.0, r2 = -185.0, r3 =  55.0, r4 =  56.0,
 &end

# 36 TYR CHI1:  (36 TYR N)-(36 TYR CA)-(36 TYR CB)-(36 TYR CG)  85.0 275.0
 &rst     iat =   567,   569,   571,   574,
   r1 =  84.0, r2 =  85.0, r3 = 275.0, r4 = 276.0,
 &end

# 36 TYR PSI:  (36 TYR N)-(36 TYR CA)-(36 TYR C)-(37 NHE N) -85.0 215.0
 &rst     iat =   567,   569,   586,   588,
   r1 = -86.0, r2 = -85.0, r3 = 215.0, r4 = 216.0,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TYR   1          1H        TYR   1   0.888  -4.890  17.429
    2   2H    TYR   1          2H        TYR   1   1.839  -4.560  18.725
    3   3H    TYR   1          3H        TYR   1   0.383  -3.796  18.554
    4    HA   TYR   1           HA       TYR   1   1.133  -2.290  17.107
    5   1HB   TYR   1          1HB       TYR   1   3.334  -3.189  18.885
    6   2HB   TYR   1          2HB       TYR   1   3.866  -2.285  17.487
    7    HD1  TYR   1           1HD      TYR   1   4.123  -0.029  17.697
    8    HD2  TYR   1           2HD      TYR   1   1.134  -1.989  20.132
    9    HE1  TYR   1           1HE      TYR   1   3.633   2.107  18.845
   10    HE2  TYR   1           2HE      TYR   1   0.631   0.174  21.228
   11    HH   TYR   1           HH       TYR   1   2.502   3.109  20.612
   12    HA   PRO   2           HA       PRO   2   2.422  -4.921  13.586
   13   1HB   PRO   2          1HB       PRO   2   0.395  -4.195  11.859
   14   2HB   PRO   2          2HB       PRO   2   0.296  -5.552  13.012
   15   1HG   PRO   2          1HG       PRO   2  -0.990  -2.863  13.172
   16   2HG   PRO   2          2HG       PRO   2  -1.519  -4.424  13.869
   17   1HD   PRO   2          1HD       PRO   2  -0.147  -2.286  15.199
   18   2HD   PRO   2          2HD       PRO   2  -0.501  -3.912  15.850
   19    H    ALA   3           H        ALA   3   3.202  -4.220  11.519
   20    HA   ALA   3           HA       ALA   3   3.217  -1.417  10.744
   21   1HB   ALA   3          1HB       ALA   3   4.986  -1.875  12.722
   22   2HB   ALA   3          2HB       ALA   3   5.987  -2.419  11.369
   23   3HB   ALA   3          3HB       ALA   3   5.311  -0.785  11.382
   24    H    LYS   4           H        LYS   4   2.219  -3.388   9.272
   25    HA   LYS   4           HA       LYS   4   4.120  -4.618   7.410
   26   1HB   LYS   4          1HB       LYS   4   1.147  -4.540   7.734
   27   2HB   LYS   4          2HB       LYS   4   1.714  -4.601   6.066
   28   1HG   LYS   4          1HG       LYS   4   1.316  -6.821   6.883
   29   2HG   LYS   4          2HG       LYS   4   3.026  -6.603   6.531
   30   1HD   LYS   4          1HD       LYS   4   3.609  -6.428   8.860
   31   2HD   LYS   4          2HD       LYS   4   1.904  -6.369   9.357
   32   1HE   LYS   4          1HE       LYS   4   3.070  -8.677   7.768
   33   2HE   LYS   4          2HE       LYS   4   3.159  -8.650   9.534
   34   1HZ   LYS   4          1HZ       LYS   4   0.556  -8.163   8.299
   35   2HZ   LYS   4          2HZ       LYS   4   1.081  -9.697   8.287
   36   3HZ   LYS   4          3HZ       LYS   4   0.902  -8.907   9.723
   37    HA   PRO   5           HA       PRO   5   3.100  -1.166   4.417
   38   1HB   PRO   5          1HB       PRO   5   1.554   1.014   5.160
   39   2HB   PRO   5          2HB       PRO   5   0.935  -0.455   4.366
   40   1HG   PRO   5          1HG       PRO   5   0.712   0.390   7.222
   41   2HG   PRO   5          2HG       PRO   5  -0.364  -0.651   6.264
   42   1HD   PRO   5          1HD       PRO   5   1.605  -1.461   8.128
   43   2HD   PRO   5          2HD       PRO   5   0.714  -2.509   6.991
   44    H    GLU   6           H        GLU   6   5.263  -0.615   4.605
   45    HA   GLU   6           HA       GLU   6   6.409   0.843   6.672
   46   1HB   GLU   6          1HB       GLU   6   7.377  -0.335   4.401
   47   2HB   GLU   6          2HB       GLU   6   7.482   1.355   3.922
   48   1HG   GLU   6          1HG       GLU   6   9.556   1.046   4.919
   49   2HG   GLU   6          2HG       GLU   6   8.643   1.685   6.278
   50    H    ALA   7           H        ALA   7   7.233   3.055   6.790
   51    HA   ALA   7           HA       ALA   7   5.182   4.971   6.112
   52   1HB   ALA   7          1HB       ALA   7   6.160   6.372   7.588
   53   2HB   ALA   7          2HB       ALA   7   6.877   4.863   8.180
   54   3HB   ALA   7          3HB       ALA   7   7.816   5.947   7.119
   55    HA   PRO   8           HA       PRO   8   7.148   5.931   2.142
   56   1HB   PRO   8          1HB       PRO   8   5.469   8.070   1.477
   57   2HB   PRO   8          2HB       PRO   8   5.210   6.339   1.131
   58   1HG   PRO   8          1HG       PRO   8   3.825   8.026   3.126
   59   2HG   PRO   8          2HG       PRO   8   3.339   6.474   2.420
   60   1HD   PRO   8          1HD       PRO   8   4.548   7.023   4.977
   61   2HD   PRO   8          2HD       PRO   8   4.093   5.428   4.295
   62    H    GLY   9           H        GLY   9   8.527   7.512   1.312
   63   1HA   GLY   9          1HA       GLY   9   9.566   9.480   3.298
   64   2HA   GLY   9          2HA       GLY   9  10.443   8.854   1.898
   65    H    GLU  10           H        GLU  10  10.765  11.351   1.868
   66    HA   GLU  10           HA       GLU  10  10.511  13.270   0.710
   67   1HB   GLU  10          1HB       GLU  10  10.140  11.158  -0.994
   68   2HB   GLU  10          2HB       GLU  10   8.716  12.090  -1.377
   69   1HG   GLU  10          1HG       GLU  10   9.930  13.905  -2.187
   70   2HG   GLU  10          2HG       GLU  10  11.352  13.564  -1.211
   71    H    ASP  11           H        ASP  11   8.832  13.155   2.837
   72    HA   ASP  11           HA       ASP  11   7.148  14.278   3.876
   73   1HB   ASP  11          1HB       ASP  11   7.823  16.056   1.966
   74   2HB   ASP  11          2HB       ASP  11   6.186  15.710   1.429
   75    H    ALA  12           H        ALA  12   6.735  11.912   1.727
   76    HA   ALA  12           HA       ALA  12   5.177  10.594   0.895
   77   1HB   ALA  12          1HB       ALA  12   3.309   9.981   2.378
   78   2HB   ALA  12          2HB       ALA  12   4.900   9.993   3.207
   79   3HB   ALA  12          3HB       ALA  12   3.736  11.311   3.465
   80    H    SER  13           H        SER  13   4.645  11.557  -0.975
   81    HA   SER  13           HA       SER  13   3.082  13.910  -1.232
   82   1HB   SER  13          1HB       SER  13   3.440  13.690  -3.455
   83   2HB   SER  13          2HB       SER  13   4.571  12.442  -2.949
   84    HG   SER  13           HG       SER  13   3.286  11.478  -4.442
   85    HA   PRO  14           HA       PRO  14  -1.131  12.725  -0.810
   86   1HB   PRO  14          1HB       PRO  14  -2.477  13.812  -2.981
   87   2HB   PRO  14          2HB       PRO  14  -1.923  14.732  -1.555
   88   1HG   PRO  14          1HG       PRO  14  -0.742  14.626  -4.298
   89   2HG   PRO  14          2HG       PRO  14  -0.703  15.953  -3.098
   90   1HD   PRO  14          1HD       PRO  14   1.342  14.108  -3.677
   91   2HD   PRO  14          2HD       PRO  14   1.304  15.187  -2.255
   92    H    GLU  15           H        GLU  15   0.510  11.793  -3.740
   93    HA   GLU  15           HA       GLU  15  -1.484   9.817  -4.581
   94   1HB   GLU  15          1HB       GLU  15   0.724  11.136  -5.773
   95   2HB   GLU  15          2HB       GLU  15   1.248   9.463  -5.634
   96   1HG   GLU  15          1HG       GLU  15  -0.619   8.677  -6.918
   97   2HG   GLU  15          2HG       GLU  15  -1.479  10.211  -6.765
   98    H    GLU  16           H        GLU  16   1.507   9.924  -2.672
   99    HA   GLU  16           HA       GLU  16   1.845   7.103  -2.338
  100   1HB   GLU  16          1HB       GLU  16   3.145   9.512  -1.564
  101   2HB   GLU  16          2HB       GLU  16   2.784   8.672  -0.055
  102   1HG   GLU  16          1HG       GLU  16   4.000   6.767  -0.648
  103   2HG   GLU  16          2HG       GLU  16   4.010   7.129  -2.368
  104    H    LEU  17           H        LEU  17  -0.249   9.452  -0.685
  105    HA   LEU  17           HA       LEU  17  -0.941   7.789   1.487
  106   1HB   LEU  17          1HB       LEU  17  -1.627  10.206   1.011
  107   2HB   LEU  17          2HB       LEU  17  -2.903   9.572  -0.024
  108    HG   LEU  17           HG       LEU  17  -3.494  10.265   2.353
  109   1HD1  LEU  17          1HD1      LEU  17  -5.019   8.321   2.800
  110   2HD1  LEU  17          2HD1      LEU  17  -5.136   9.020   1.172
  111   3HD1  LEU  17          3HD1      LEU  17  -4.297   7.486   1.432
  112   1HD2  LEU  17          1HD2      LEU  17  -2.384   7.594   3.241
  113   2HD2  LEU  17          2HD2      LEU  17  -1.462   9.106   3.381
  114   3HD2  LEU  17          3HD2      LEU  17  -3.004   8.934   4.225
  115    H    SER  18           H        SER  18  -2.181   7.697  -1.854
  116    HA   SER  18           HA       SER  18  -4.098   5.602  -1.424
  117   1HB   SER  18          1HB       SER  18  -4.254   5.426  -3.772
  118   2HB   SER  18          2HB       SER  18  -3.974   7.139  -3.419
  119    HG   SER  18           HG       SER  18  -1.702   6.780  -3.966
  120    H    ARG  19           H        ARG  19  -0.631   5.519  -1.682
  121    HA   ARG  19           HA       ARG  19  -0.374   2.693  -2.308
  122   1HB   ARG  19          1HB       ARG  19   1.800   3.164  -2.589
  123   2HB   ARG  19          2HB       ARG  19   1.305   4.837  -2.500
  124   1HG   ARG  19          1HG       ARG  19   3.045   4.881  -1.031
  125   2HG   ARG  19          2HG       ARG  19   1.780   4.530   0.123
  126   1HD   ARG  19          1HD       ARG  19   2.621   2.017  -0.814
  127   2HD   ARG  19          2HD       ARG  19   4.101   2.976  -0.615
  128    HE   ARG  19           HE       ARG  19   2.603   3.446   1.688
  129   1HH1  ARG  19          2HH2      ARG  19   3.914   0.602   0.167
  130   2HH1  ARG  19          1HH2      ARG  19   4.078  -0.277   1.661
  131   1HH2  ARG  19          2HH1      ARG  19   3.167   2.386   3.614
  132   2HH2  ARG  19          1HH1      ARG  19   3.552   0.744   3.552
  133    H    TYR  20           H        TYR  20  -0.807   4.580   0.616
  134    HA   TYR  20           HA       TYR  20   0.113   2.584   2.507
  135   1HB   TYR  20          1HB       TYR  20   0.170   5.055   2.848
  136   2HB   TYR  20          2HB       TYR  20  -1.584   5.077   2.891
  137    HD1  TYR  20           1HD      TYR  20  -2.766   4.688   4.899
  138    HD2  TYR  20           2HD      TYR  20   1.421   3.692   4.667
  139    HE1  TYR  20           1HE      TYR  20  -2.774   4.146   7.313
  140    HE2  TYR  20           2HE      TYR  20   1.412   3.118   7.098
  141    HH   TYR  20           HH       TYR  20  -1.519   3.455   9.113
  142    H    TYR  21           H        TYR  21  -2.024   1.801   0.549
  143    HA   TYR  21           HA       TYR  21  -3.953   0.475   2.313
  144   1HB   TYR  21          1HB       TYR  21  -4.579   2.971   0.840
  145   2HB   TYR  21          2HB       TYR  21  -5.660   1.657   0.439
  146    HD1  TYR  21           1HD      TYR  21  -7.042   0.541   2.140
  147    HD2  TYR  21           2HD      TYR  21  -4.619   3.969   3.088
  148    HE1  TYR  21           1HE      TYR  21  -8.412   0.939   4.174
  149    HE2  TYR  21           2HE      TYR  21  -5.987   4.357   5.147
  150    HH   TYR  21           HH       TYR  21  -8.829   2.377   5.935
  151    H    ALA  22           H        ALA  22  -3.428   1.394  -1.187
  152    HA   ALA  22           HA       ALA  22  -4.353  -1.147  -2.135
  153   1HB   ALA  22          1HB       ALA  22  -2.553  -0.147  -4.052
  154   2HB   ALA  22          2HB       ALA  22  -4.305   0.120  -3.978
  155   3HB   ALA  22          3HB       ALA  22  -3.196   1.297  -3.263
  156    H    SER  23           H        SER  23  -1.092   0.008  -1.180
  157    HA   SER  23           HA       SER  23   0.255  -2.387  -2.030
  158   1HB   SER  23          1HB       SER  23   1.172   0.007  -1.342
  159   2HB   SER  23          2HB       SER  23   1.325  -0.749   0.255
  160    HG   SER  23           HG       SER  23   2.637  -2.340  -0.753
  161    H    LEU  24           H        LEU  24  -1.568  -1.620   0.922
  162    HA   LEU  24           HA       LEU  24  -0.558  -3.608   2.690
  163   1HB   LEU  24          1HB       LEU  24  -2.897  -1.848   2.461
  164   2HB   LEU  24          2HB       LEU  24  -3.357  -3.382   3.155
  165    HG   LEU  24           HG       LEU  24  -0.934  -1.930   4.219
  166   1HD1  LEU  24          1HD1      LEU  24  -3.809  -1.077   4.493
  167   2HD1  LEU  24          2HD1      LEU  24  -2.755  -0.946   5.913
  168   3HD1  LEU  24          3HD1      LEU  24  -2.321  -0.122   4.417
  169   1HD2  LEU  24          1HD2      LEU  24  -2.991  -3.337   5.907
  170   2HD2  LEU  24          2HD2      LEU  24  -1.904  -4.329   4.913
  171   3HD2  LEU  24          3HD2      LEU  24  -1.232  -3.209   6.110
  172    H    ARG  25           H        ARG  25  -2.935  -3.865   0.076
  173    HA   ARG  25           HA       ARG  25  -3.501  -6.696   0.536
  174   1HB   ARG  25          1HB       ARG  25  -4.977  -4.946  -0.685
  175   2HB   ARG  25          2HB       ARG  25  -3.873  -5.113  -2.037
  176   1HG   ARG  25          1HG       ARG  25  -5.233  -6.762  -2.726
  177   2HG   ARG  25          2HG       ARG  25  -4.437  -7.784  -1.537
  178   1HD   ARG  25          1HD       ARG  25  -6.240  -7.758  -0.083
  179   2HD   ARG  25          2HD       ARG  25  -6.733  -6.120  -0.546
  180    HE   ARG  25           HE       ARG  25  -7.060  -8.134  -2.637
  181   1HH1  ARG  25          2HH2      ARG  25  -8.758  -6.454  -0.054
  182   2HH1  ARG  25          1HH2      ARG  25 -10.327  -6.719  -0.810
  183   1HH2  ARG  25          2HH1      ARG  25  -9.150  -8.480  -3.478
  184   2HH2  ARG  25          1HH1      ARG  25 -10.496  -7.722  -2.648
  185    H    HIS  26           H        HIS  26  -1.458  -4.860  -1.772
  186    HA   HIS  26           HA       HIS  26  -0.401  -7.168  -3.077
  187   1HB   HIS  26          1HB       HIS  26  -0.309  -4.511  -3.585
  188   2HB   HIS  26          2HB       HIS  26   1.292  -4.707  -2.883
  189    HD1  HIS  26           1HD      HIS  26   2.970  -4.922  -4.902
  190    HE1  HIS  26           1HE      HIS  26   0.677  -7.392  -7.504
  191    H    TYR  27           H        TYR  27   0.466  -5.665  -0.068
  192    HA   TYR  27           HA       TYR  27   2.945  -6.856   0.493
  193   1HB   TYR  27          1HB       TYR  27   1.427  -5.015   1.724
  194   2HB   TYR  27          2HB       TYR  27   0.954  -6.382   2.699
  195    HD1  TYR  27           1HD      TYR  27   3.462  -3.913   1.932
  196    HD2  TYR  27           2HD      TYR  27   2.847  -7.723   3.843
  197    HE1  TYR  27           1HE      TYR  27   5.569  -3.591   3.231
  198    HE2  TYR  27           2HE      TYR  27   4.970  -7.408   5.133
  199    HH   TYR  27           HH       TYR  27   6.773  -4.380   5.062
  200    H    LEU  28           H        LEU  28  -0.379  -8.034   1.058
  201    HA   LEU  28           HA       LEU  28   0.310 -10.459   2.475
  202   1HB   LEU  28          1HB       LEU  28  -1.906  -9.951   2.754
  203   2HB   LEU  28          2HB       LEU  28  -2.072  -9.243   1.170
  204    HG   LEU  28           HG       LEU  28  -2.032 -11.593   0.188
  205   1HD1  LEU  28          1HD1      LEU  28  -1.135 -12.564   2.457
  206   2HD1  LEU  28          2HD1      LEU  28  -2.833 -12.518   2.962
  207   3HD1  LEU  28          3HD1      LEU  28  -2.350 -13.477   1.539
  208   1HD2  LEU  28          1HD2      LEU  28  -4.350 -11.881   0.440
  209   2HD2  LEU  28          2HD2      LEU  28  -4.383 -11.049   2.014
  210   3HD2  LEU  28          3HD2      LEU  28  -4.062 -10.140   0.520
  211    H    ASN  29           H        ASN  29  -0.043  -9.635  -0.986
  212    HA   ASN  29           HA       ASN  29   0.610 -12.302  -1.875
  213   1HB   ASN  29          1HB       ASN  29   0.474  -9.659  -3.359
  214   2HB   ASN  29          2HB       ASN  29   0.829 -11.219  -4.114
  215   1HD2  ASN  29          1HD2      ASN  29  -0.999 -11.560  -5.391
  216   2HD2  ASN  29          2HD2      ASN  29  -2.595 -11.616  -4.635
  217    H    LEU  30           H        LEU  30   2.575  -9.790  -0.684
  218    HA   LEU  30           HA       LEU  30   5.032 -10.554  -2.105
  219   1HB   LEU  30          1HB       LEU  30   5.016  -8.322  -1.739
  220   2HB   LEU  30          2HB       LEU  30   4.139  -8.391  -0.258
  221    HG   LEU  30           HG       LEU  30   6.874  -9.530  -0.057
  222   1HD1  LEU  30          1HD1      LEU  30   8.095  -7.544  -0.149
  223   2HD1  LEU  30          2HD1      LEU  30   7.120  -7.524  -1.622
  224   3HD1  LEU  30          3HD1      LEU  30   6.645  -6.515  -0.240
  225   1HD2  LEU  30          1HD2      LEU  30   5.794  -7.307   1.684
  226   2HD2  LEU  30          2HD2      LEU  30   5.037  -8.881   1.798
  227   3HD2  LEU  30          3HD2      LEU  30   6.771  -8.723   2.115
  228    H    VAL  31           H        VAL  31   3.604 -11.026   1.159
  229    HA   VAL  31           HA       VAL  31   5.874 -12.682   2.005
  230    HB   VAL  31           HB       VAL  31   3.167 -12.198   3.282
  231   1HG1  VAL  31          1HG1      VAL  31   3.812 -14.190   4.328
  232   2HG1  VAL  31          2HG1      VAL  31   5.543 -13.808   4.243
  233   3HG1  VAL  31          3HG1      VAL  31   4.493 -12.978   5.409
  234   1HG2  VAL  31          1HG2      VAL  31   5.346 -11.058   4.779
  235   2HG2  VAL  31          2HG2      VAL  31   5.606 -10.619   3.109
  236   3HG2  VAL  31          3HG2      VAL  31   4.061 -10.224   3.882
  237    H    THR  32           H        THR  32   3.352 -13.352  -0.093
  238    HA   THR  32           HA       THR  32   3.471 -16.292   0.491
  239    HB   THR  32           HB       THR  32   1.297 -14.945   0.622
  240    HG1  THR  32           1HG      THR  32   0.211 -16.763  -0.345
  241   1HG2  THR  32          1HG2      THR  32   1.694 -14.091  -1.860
  242   2HG2  THR  32          2HG2      THR  32   0.930 -15.622  -2.283
  243   3HG2  THR  32          3HG2      THR  32   0.061 -14.465  -1.249
  244    H    ARG  33           H        ARG  33   5.357 -14.542  -1.125
  245    HA   ARG  33           HA       ARG  33   5.774 -16.442  -3.304
  246   1HB   ARG  33          1HB       ARG  33   4.051 -14.350  -3.878
  247   2HB   ARG  33          2HB       ARG  33   5.570 -13.665  -4.402
  248   1HG   ARG  33          1HG       ARG  33   4.338 -16.335  -5.270
  249   2HG   ARG  33          2HG       ARG  33   4.400 -14.834  -6.206
  250   1HD   ARG  33          1HD       ARG  33   7.019 -15.074  -5.931
  251   2HD   ARG  33          2HD       ARG  33   6.652 -16.751  -5.523
  252    HE   ARG  33           HE       ARG  33   6.160 -17.142  -7.767
  253   1HH1  ARG  33          2HH2      ARG  33   6.255 -13.690  -7.250
  254   2HH1  ARG  33          1HH2      ARG  33   6.240 -13.286  -8.946
  255   1HH2  ARG  33          2HH1      ARG  33   6.170 -16.611  -9.970
  256   2HH2  ARG  33          1HH1      ARG  33   6.329 -14.941 -10.459
  257    H    GLN  34           H        GLN  34   7.353 -15.799  -1.071
  258    HA   GLN  34           HA       GLN  34   9.750 -14.702  -2.434
  259   1HB   GLN  34          1HB       GLN  34   8.409 -13.266  -0.443
  260   2HB   GLN  34          2HB       GLN  34   9.623 -14.149   0.471
  261   1HG   GLN  34          1HG       GLN  34  10.657 -12.105  -0.128
  262   2HG   GLN  34          2HG       GLN  34  11.347 -13.279  -1.247
  263   1HE2  GLN  34          1HE2      GLN  34  11.165 -12.772  -3.545
  264   2HE2  GLN  34          2HE2      GLN  34  10.075 -11.464  -4.023
  265    H    ARG  35           H        ARG  35  11.746 -15.452  -1.595
  266    HA   ARG  35           HA       ARG  35  11.809 -17.638   0.320
  267   1HB   ARG  35          1HB       ARG  35  11.125 -18.438  -2.185
  268   2HB   ARG  35          2HB       ARG  35  12.852 -18.387  -2.439
  269   1HG   ARG  35          1HG       ARG  35  11.868 -19.778   0.055
  270   2HG   ARG  35          2HG       ARG  35  11.466 -20.521  -1.491
  271   1HD   ARG  35          1HD       ARG  35  13.831 -20.562  -2.141
  272   2HD   ARG  35          2HD       ARG  35  14.286 -19.819  -0.593
  273    HE   ARG  35           HE       ARG  35  12.768 -22.021   0.108
  274   1HH1  ARG  35          2HH2      ARG  35  15.679 -21.698  -1.808
  275   2HH1  ARG  35          1HH2      ARG  35  16.280 -23.270  -1.388
  276   1HH2  ARG  35          2HH1      ARG  35  13.504 -24.072   0.564
  277   2HH2  ARG  35          1HH1      ARG  35  15.004 -24.631  -0.089
  278    H    TYR  36           H        TYR  36  13.524 -16.945   1.479
  279    HA   TYR  36           HA       TYR  36  15.500 -15.989   2.064
  280   1HB   TYR  36          1HB       TYR  36  16.345 -18.064   1.609
  281   2HB   TYR  36          2HB       TYR  36  16.049 -17.949  -0.114
  282    HD1  TYR  36           1HD      TYR  36  17.838 -17.777  -1.529
  283    HD2  TYR  36           2HD      TYR  36  18.149 -16.155   2.453
  284    HE1  TYR  36           1HE      TYR  36  20.142 -16.993  -2.038
  285    HE2  TYR  36           2HE      TYR  36  20.431 -15.310   1.926
  286    HH   TYR  36           HH       TYR  36  22.012 -15.070   0.307
  287   1HN   NH2  37          NH1       NHE  37  15.045 -13.691   1.784
  288   2HN   NH2  37          NH2       NHE  37  15.837 -12.895   0.433
  Start of MODEL    2
    1   1H    TYR   1          1H        TYR   1  17.772  -4.876  13.221
    2   2H    TYR   1          2H        TYR   1  17.422  -6.450  12.885
    3   3H    TYR   1          3H        TYR   1  17.205  -5.307  11.730
    4    HA   TYR   1           HA       TYR   1  15.639  -5.697  14.186
    5   1HB   TYR   1          1HB       TYR   1  16.044  -3.219  12.570
    6   2HB   TYR   1          2HB       TYR   1  14.388  -3.618  12.937
    7    HD1  TYR   1           1HD      TYR   1  17.738  -3.333  14.711
    8    HD2  TYR   1           2HD      TYR   1  13.441  -2.847  14.953
    9    HE1  TYR   1           1HE      TYR   1  17.960  -2.329  16.952
   10    HE2  TYR   1           2HE      TYR   1  13.696  -1.848  17.209
   11    HH   TYR   1           HH       TYR   1  16.834  -0.917  18.442
   12    HA   PRO   2           HA       PRO   2  12.966  -7.809  11.335
   13   1HB   PRO   2          1HB       PRO   2  10.428  -7.212  12.299
   14   2HB   PRO   2          2HB       PRO   2  11.530  -8.433  12.989
   15   1HG   PRO   2          1HG       PRO   2  10.847  -5.726  14.034
   16   2HG   PRO   2          2HG       PRO   2  11.414  -7.177  14.913
   17   1HD   PRO   2          1HD       PRO   2  12.946  -4.918  14.127
   18   2HD   PRO   2          2HD       PRO   2  13.584  -6.445  14.800
   19    H    ALA   3           H        ALA   3  11.467  -7.472   9.578
   20    HA   ALA   3           HA       ALA   3  11.551  -4.795   8.402
   21   1HB   ALA   3          1HB       ALA   3  10.198  -6.007   6.587
   22   2HB   ALA   3          2HB       ALA   3  11.842  -6.601   6.878
   23   3HB   ALA   3          3HB       ALA   3  10.443  -7.491   7.526
   24    H    LYS   4           H        LYS   4   9.615  -3.702   7.656
   25    HA   LYS   4           HA       LYS   4   7.134  -4.202   9.131
   26   1HB   LYS   4          1HB       LYS   4   7.058  -1.849   9.977
   27   2HB   LYS   4          2HB       LYS   4   8.318  -2.832  10.690
   28   1HG   LYS   4          1HG       LYS   4   9.389  -0.816  10.367
   29   2HG   LYS   4          2HG       LYS   4   9.949  -1.740   8.997
   30   1HD   LYS   4          1HD       LYS   4   9.240  -0.081   7.625
   31   2HD   LYS   4          2HD       LYS   4   7.584  -0.432   8.085
   32   1HE   LYS   4          1HE       LYS   4   7.464   1.633   8.903
   33   2HE   LYS   4          2HE       LYS   4   8.388   1.004  10.271
   34   1HZ   LYS   4          1HZ       LYS   4  10.395   1.596   8.706
   35   2HZ   LYS   4          2HZ       LYS   4   9.333   2.617   8.007
   36   3HZ   LYS   4          3HZ       LYS   4   9.676   2.769   9.610
   37    HA   PRO   5           HA       PRO   5   5.531  -2.792   5.261
   38   1HB   PRO   5          1HB       PRO   5   3.013  -1.856   5.993
   39   2HB   PRO   5          2HB       PRO   5   3.451  -3.564   5.739
   40   1HG   PRO   5          1HG       PRO   5   2.999  -2.131   8.303
   41   2HG   PRO   5          2HG       PRO   5   2.872  -3.877   7.933
   42   1HD   PRO   5          1HD       PRO   5   5.017  -2.533   9.238
   43   2HD   PRO   5          2HD       PRO   5   4.999  -4.229   8.675
   44    H    GLU   6           H        GLU   6   6.135  -1.039   4.163
   45    HA   GLU   6           HA       GLU   6   6.847   1.435   5.342
   46   1HB   GLU   6          1HB       GLU   6   7.475   0.328   3.025
   47   2HB   GLU   6          2HB       GLU   6   6.043   1.180   2.428
   48   1HG   GLU   6          1HG       GLU   6   7.016   3.324   3.012
   49   2HG   GLU   6          2HG       GLU   6   8.321   2.568   3.918
   50    H    ALA   7           H        ALA   7   5.816   3.561   5.173
   51    HA   ALA   7           HA       ALA   7   2.969   3.619   4.538
   52   1HB   ALA   7          1HB       ALA   7   3.829   4.383   7.357
   53   2HB   ALA   7          2HB       ALA   7   2.193   4.090   6.740
   54   3HB   ALA   7          3HB       ALA   7   3.295   2.736   6.968
   55    HA   PRO   8           HA       PRO   8   4.168   7.818   3.687
   56   1HB   PRO   8          1HB       PRO   8   1.802   9.207   3.933
   57   2HB   PRO   8          2HB       PRO   8   2.175   8.092   2.585
   58   1HG   PRO   8          1HG       PRO   8   0.427   7.656   4.966
   59   2HG   PRO   8          2HG       PRO   8   0.306   6.957   3.312
   60   1HD   PRO   8          1HD       PRO   8   1.354   5.742   5.643
   61   2HD   PRO   8          2HD       PRO   8   1.512   5.126   3.980
   62    H    GLY   9           H        GLY   9   4.971   9.595   4.700
   63   1HA   GLY   9          1HA       GLY   9   4.104  10.822   7.091
   64   2HA   GLY   9          2HA       GLY   9   5.399   9.649   7.446
   65    H    GLU  10           H        GLU  10   5.947  12.255   7.898
   66    HA   GLU  10           HA       GLU  10   7.118  14.142   7.379
   67   1HB   GLU  10          1HB       GLU  10   8.754  12.093   7.671
   68   2HB   GLU  10          2HB       GLU  10   9.186  12.429   6.016
   69   1HG   GLU  10          1HG       GLU  10   9.401  14.221   8.460
   70   2HG   GLU  10          2HG       GLU  10  10.722  13.537   7.531
   71    H    ASP  11           H        ASP  11   5.561  15.035   5.935
   72    HA   ASP  11           HA       ASP  11   4.887  16.110   4.093
   73   1HB   ASP  11          1HB       ASP  11   7.694  16.289   3.936
   74   2HB   ASP  11          2HB       ASP  11   7.219  15.798   2.329
   75    H    ALA  12           H        ALA  12   3.229  14.781   3.487
   76    HA   ALA  12           HA       ALA  12   3.666  13.219   1.045
   77   1HB   ALA  12          1HB       ALA  12   4.098  11.669   3.033
   78   2HB   ALA  12          2HB       ALA  12   2.363  11.842   3.430
   79   3HB   ALA  12          3HB       ALA  12   2.871  11.153   1.875
   80    H    SER  13           H        SER  13   2.135  13.871  -0.291
   81    HA   SER  13           HA       SER  13  -0.144  15.411   0.468
   82   1HB   SER  13          1HB       SER  13  -0.405  15.756  -1.763
   83   2HB   SER  13          2HB       SER  13   1.231  15.125  -1.842
   84    HG   SER  13           HG       SER  13   0.490  13.343  -2.779
   85    HA   PRO  14           HA       PRO  14  -3.279  12.383   1.189
   86   1HB   PRO  14          1HB       PRO  14  -5.459  13.072  -0.375
   87   2HB   PRO  14          2HB       PRO  14  -4.977  13.886   1.141
   88   1HG   PRO  14          1HG       PRO  14  -4.615  14.812  -1.676
   89   2HG   PRO  14          2HG       PRO  14  -4.813  15.772  -0.182
   90   1HD   PRO  14          1HD       PRO  14  -2.437  15.188  -1.557
   91   2HD   PRO  14          2HD       PRO  14  -2.537  15.881   0.087
   92    H    GLU  15           H        GLU  15  -2.110  12.736  -2.087
   93    HA   GLU  15           HA       GLU  15  -3.310  10.325  -3.145
   94   1HB   GLU  15          1HB       GLU  15  -1.718  12.456  -4.172
   95   2HB   GLU  15          2HB       GLU  15  -0.731  11.008  -4.323
   96   1HG   GLU  15          1HG       GLU  15  -2.995   9.972  -5.294
   97   2HG   GLU  15          2HG       GLU  15  -3.387  11.669  -5.576
   98    H    GLU  16           H        GLU  16  -0.481  11.011  -1.115
   99    HA   GLU  16           HA       GLU  16   0.836   8.503  -1.669
  100   1HB   GLU  16          1HB       GLU  16   1.587  10.858  -0.407
  101   2HB   GLU  16          2HB       GLU  16   1.317   9.791   0.962
  102   1HG   GLU  16          1HG       GLU  16   3.593   9.525   0.433
  103   2HG   GLU  16          2HG       GLU  16   2.829   8.083  -0.202
  104    H    LEU  17           H        LEU  17  -1.621   9.543   0.681
  105    HA   LEU  17           HA       LEU  17  -1.529   7.165   2.284
  106   1HB   LEU  17          1HB       LEU  17  -2.805   9.517   2.541
  107   2HB   LEU  17          2HB       LEU  17  -4.133   8.616   1.834
  108    HG   LEU  17           HG       LEU  17  -4.145   8.756   4.315
  109   1HD1  LEU  17          1HD1      LEU  17  -5.419   6.924   3.688
  110   2HD1  LEU  17          2HD1      LEU  17  -4.043   6.007   3.076
  111   3HD1  LEU  17          3HD1      LEU  17  -4.261   6.188   4.809
  112   1HD2  LEU  17          1HD2      LEU  17  -2.567   7.750   5.736
  113   2HD2  LEU  17          2HD2      LEU  17  -1.792   6.873   4.413
  114   3HD2  LEU  17          3HD2      LEU  17  -1.628   8.645   4.537
  115    H    SER  18           H        SER  18  -3.349   7.938  -0.694
  116    HA   SER  18           HA       SER  18  -4.694   5.442  -0.918
  117   1HB   SER  18          1HB       SER  18  -3.726   7.201  -3.205
  118   2HB   SER  18          2HB       SER  18  -5.090   6.052  -3.210
  119    HG   SER  18           HG       SER  18  -5.373   8.508  -2.722
  120    H    ARG  19           H        ARG  19  -1.345   6.302  -1.612
  121    HA   ARG  19           HA       ARG  19  -0.680   3.930  -3.135
  122   1HB   ARG  19          1HB       ARG  19   1.267   4.959  -3.441
  123   2HB   ARG  19          2HB       ARG  19   0.517   6.330  -2.687
  124   1HG   ARG  19          1HG       ARG  19   2.462   6.304  -1.561
  125   2HG   ARG  19          2HG       ARG  19   1.565   5.301  -0.432
  126   1HD   ARG  19          1HD       ARG  19   2.626   3.340  -1.062
  127   2HD   ARG  19          2HD       ARG  19   3.137   4.007  -2.631
  128    HE   ARG  19           HE       ARG  19   4.234   5.479  -0.385
  129   1HH1  ARG  19          2HH2      ARG  19   4.833   2.653  -2.362
  130   2HH1  ARG  19          1HH2      ARG  19   6.553   2.698  -2.030
  131   1HH2  ARG  19          2HH1      ARG  19   6.432   5.463  -0.011
  132   2HH2  ARG  19          1HH1      ARG  19   7.263   3.965  -0.273
  133    H    TYR  20           H        TYR  20  -0.857   4.643   0.277
  134    HA   TYR  20           HA       TYR  20   0.702   2.405   1.218
  135   1HB   TYR  20          1HB       TYR  20   0.332   4.404   2.540
  136   2HB   TYR  20          2HB       TYR  20  -1.387   4.151   2.559
  137    HD1  TYR  20           1HD      TYR  20  -2.122   3.718   4.704
  138    HD2  TYR  20           2HD      TYR  20   1.441   1.736   3.274
  139    HE1  TYR  20           1HE      TYR  20  -2.037   2.352   6.772
  140    HE2  TYR  20           2HE      TYR  20   1.497   0.363   5.325
  141    HH   TYR  20           HH       TYR  20  -0.890   0.752   7.942
  142    H    TYR  21           H        TYR  21  -2.812   2.980   1.176
  143    HA   TYR  21           HA       TYR  21  -3.731   0.435   1.989
  144   1HB   TYR  21          1HB       TYR  21  -4.805   2.775   0.478
  145   2HB   TYR  21          2HB       TYR  21  -5.615   1.258   0.176
  146    HD1  TYR  21           1HD      TYR  21  -7.346   0.583   1.545
  147    HD2  TYR  21           2HD      TYR  21  -4.436   3.371   3.081
  148    HE1  TYR  21           1HE      TYR  21  -8.681   0.822   3.639
  149    HE2  TYR  21           2HE      TYR  21  -5.769   3.605   5.169
  150    HH   TYR  21           HH       TYR  21  -7.558   2.761   6.391
  151    H    ALA  22           H        ALA  22  -2.747   1.506  -1.267
  152    HA   ALA  22           HA       ALA  22  -3.390  -0.963  -2.592
  153   1HB   ALA  22          1HB       ALA  22  -1.287   1.102  -3.387
  154   2HB   ALA  22          2HB       ALA  22  -2.202  -0.002  -4.443
  155   3HB   ALA  22          3HB       ALA  22  -3.030   1.340  -3.630
  156    H    SER  23           H        SER  23  -0.320   0.343  -1.217
  157    HA   SER  23           HA       SER  23   1.318  -1.906  -1.744
  158   1HB   SER  23          1HB       SER  23   1.678   0.562  -0.501
  159   2HB   SER  23          2HB       SER  23   1.883  -0.578   0.834
  160    HG   SER  23           HG       SER  23   3.219  -0.604  -1.674
  161    H    LEU  24           H        LEU  24  -0.833  -1.289   1.050
  162    HA   LEU  24           HA       LEU  24  -0.201  -3.535   2.621
  163   1HB   LEU  24          1HB       LEU  24  -2.780  -2.007   2.202
  164   2HB   LEU  24          2HB       LEU  24  -2.702  -3.353   3.327
  165    HG   LEU  24           HG       LEU  24  -0.826  -0.968   3.545
  166   1HD1  LEU  24          1HD1      LEU  24  -2.600  -0.562   5.555
  167   2HD1  LEU  24          2HD1      LEU  24  -2.763   0.177   3.962
  168   3HD1  LEU  24          3HD1      LEU  24  -3.698  -1.282   4.363
  169   1HD2  LEU  24          1HD2      LEU  24  -0.452  -1.747   5.778
  170   2HD2  LEU  24          2HD2      LEU  24  -1.746  -2.952   5.663
  171   3HD2  LEU  24          3HD2      LEU  24  -0.248  -3.152   4.736
  172    H    ARG  25           H        ARG  25  -2.658  -3.412  -0.010
  173    HA   ARG  25           HA       ARG  25  -3.282  -6.239   0.212
  174   1HB   ARG  25          1HB       ARG  25  -4.006  -4.049  -1.630
  175   2HB   ARG  25          2HB       ARG  25  -3.600  -5.506  -2.525
  176   1HG   ARG  25          1HG       ARG  25  -5.838  -5.911  -2.159
  177   2HG   ARG  25          2HG       ARG  25  -5.138  -6.749  -0.779
  178   1HD   ARG  25          1HD       ARG  25  -6.847  -5.502   0.219
  179   2HD   ARG  25          2HD       ARG  25  -5.443  -4.444   0.463
  180    HE   ARG  25           HE       ARG  25  -6.924  -4.009  -2.037
  181   1HH1  ARG  25          2HH2      ARG  25  -6.864  -3.086   1.314
  182   2HH1  ARG  25          1HH2      ARG  25  -7.840  -1.667   1.090
  183   1HH2  ARG  25          2HH1      ARG  25  -7.848  -2.003  -2.392
  184   2HH2  ARG  25          1HH1      ARG  25  -8.384  -1.059  -1.025
  185    H    HIS  26           H        HIS  26  -0.954  -4.483  -1.828
  186    HA   HIS  26           HA       HIS  26   0.070  -6.834  -3.066
  187   1HB   HIS  26          1HB       HIS  26   0.379  -4.190  -3.507
  188   2HB   HIS  26          2HB       HIS  26   1.891  -4.479  -2.642
  189    HD1  HIS  26           1HD      HIS  26   3.609  -4.463  -4.673
  190    HE1  HIS  26           1HE      HIS  26   1.669  -7.200  -7.277
  191    H    TYR  27           H        TYR  27   0.759  -5.467   0.066
  192    HA   TYR  27           HA       TYR  27   3.061  -6.925   0.797
  193   1HB   TYR  27          1HB       TYR  27   1.517  -4.975   1.938
  194   2HB   TYR  27          2HB       TYR  27   0.964  -6.339   2.869
  195    HD1  TYR  27           1HD      TYR  27   3.935  -4.396   1.800
  196    HD2  TYR  27           2HD      TYR  27   2.340  -7.250   4.612
  197    HE1  TYR  27           1HE      TYR  27   5.976  -4.144   3.225
  198    HE2  TYR  27           2HE      TYR  27   4.349  -6.998   6.029
  199    HH   TYR  27           HH       TYR  27   6.350  -5.970   6.270
  200    H    LEU  28           H        LEU  28  -0.399  -7.703   1.248
  201    HA   LEU  28           HA       LEU  28  -0.066 -10.277   2.480
  202   1HB   LEU  28          1HB       LEU  28  -2.208  -9.473   2.676
  203   2HB   LEU  28          2HB       LEU  28  -2.234  -8.787   1.067
  204    HG   LEU  28           HG       LEU  28  -2.465 -11.126   0.114
  205   1HD1  LEU  28          1HD1      LEU  28  -1.689 -12.471   2.046
  206   2HD1  LEU  28          2HD1      LEU  28  -3.041 -11.858   3.022
  207   3HD1  LEU  28          3HD1      LEU  28  -3.345 -12.884   1.606
  208   1HD2  LEU  28          1HD2      LEU  28  -4.330  -9.561   0.345
  209   2HD2  LEU  28          2HD2      LEU  28  -4.847 -11.237   0.577
  210   3HD2  LEU  28          3HD2      LEU  28  -4.654 -10.166   1.988
  211    H    ASN  29           H        ASN  29  -0.187  -9.297  -0.978
  212    HA   ASN  29           HA       ASN  29   0.120 -11.965  -2.012
  213   1HB   ASN  29          1HB       ASN  29   0.644  -9.189  -3.131
  214   2HB   ASN  29          2HB       ASN  29   1.088 -10.634  -4.027
  215   1HD2  ASN  29          1HD2      ASN  29  -0.363 -10.563  -5.705
  216   2HD2  ASN  29          2HD2      ASN  29  -2.107 -10.645  -5.395
  217    H    LEU  30           H        LEU  30   2.438  -9.974  -0.380
  218    HA   LEU  30           HA       LEU  30   4.769 -11.255  -1.614
  219   1HB   LEU  30          1HB       LEU  30   4.229  -8.796  -0.215
  220   2HB   LEU  30          2HB       LEU  30   5.310  -9.687   0.811
  221    HG   LEU  30           HG       LEU  30   6.357  -9.950  -1.852
  222   1HD1  LEU  30          1HD1      LEU  30   4.827  -7.984  -2.346
  223   2HD1  LEU  30          2HD1      LEU  30   5.783  -7.041  -1.190
  224   3HD1  LEU  30          3HD1      LEU  30   6.554  -7.707  -2.650
  225   1HD2  LEU  30          1HD2      LEU  30   8.257  -8.779  -0.953
  226   2HD2  LEU  30          2HD2      LEU  30   7.295  -8.124   0.387
  227   3HD2  LEU  30          3HD2      LEU  30   7.620  -9.870   0.293
  228    H    VAL  31           H        VAL  31   3.573 -10.958   1.753
  229    HA   VAL  31           HA       VAL  31   5.107 -13.290   2.635
  230    HB   VAL  31           HB       VAL  31   3.111 -11.438   3.909
  231   1HG1  VAL  31          1HG1      VAL  31   4.150 -14.000   5.188
  232   2HG1  VAL  31          2HG1      VAL  31   3.496 -12.625   6.103
  233   3HG1  VAL  31          3HG1      VAL  31   2.459 -13.496   4.980
  234   1HG2  VAL  31          1HG2      VAL  31   5.654 -11.006   3.619
  235   2HG2  VAL  31          2HG2      VAL  31   4.948 -10.751   5.218
  236   3HG2  VAL  31          3HG2      VAL  31   5.871 -12.228   4.885
  237    H    THR  32           H        THR  32   2.036 -12.964   1.062
  238    HA   THR  32           HA       THR  32   0.359 -14.342   0.541
  239    HB   THR  32           HB       THR  32   1.963 -15.163  -0.915
  240    HG1  THR  32           1HG      THR  32   0.419 -16.456  -1.339
  241   1HG2  THR  32          1HG2      THR  32   2.903 -17.111   1.204
  242   2HG2  THR  32          2HG2      THR  32   3.313 -17.203  -0.529
  243   3HG2  THR  32          3HG2      THR  32   3.834 -15.817   0.412
  244    H    ARG  33           H        ARG  33   1.100 -14.137   3.382
  245    HA   ARG  33           HA       ARG  33  -0.892 -15.954   4.597
  246   1HB   ARG  33          1HB       ARG  33   2.109 -16.160   4.958
  247   2HB   ARG  33          2HB       ARG  33   1.093 -16.458   6.348
  248   1HG   ARG  33          1HG       ARG  33  -0.263 -18.006   4.636
  249   2HG   ARG  33          2HG       ARG  33   1.284 -18.027   3.787
  250   1HD   ARG  33          1HD       ARG  33   1.638 -18.501   6.685
  251   2HD   ARG  33          2HD       ARG  33   0.414 -19.577   6.019
  252    HE   ARG  33           HE       ARG  33   2.069 -20.778   4.944
  253   1HH1  ARG  33          2HH2      ARG  33   3.482 -17.666   5.685
  254   2HH1  ARG  33          1HH2      ARG  33   5.080 -18.121   5.163
  255   1HH2  ARG  33          2HH1      ARG  33   3.958 -21.380   4.354
  256   2HH2  ARG  33          1HH1      ARG  33   5.358 -20.301   4.356
  257    H    GLN  34           H        GLN  34  -0.422 -12.948   4.279
  258    HA   GLN  34           HA       GLN  34  -0.553 -12.253   7.181
  259   1HB   GLN  34          1HB       GLN  34   1.369 -11.349   5.495
  260   2HB   GLN  34          2HB       GLN  34   0.171 -10.082   5.262
  261   1HG   GLN  34          1HG       GLN  34   0.052  -9.795   7.749
  262   2HG   GLN  34          2HG       GLN  34   1.266 -11.070   7.938
  263   1HE2  GLN  34          1HE2      GLN  34   1.306  -8.039   8.629
  264   2HE2  GLN  34          2HE2      GLN  34   2.803  -7.571   7.819
  265    H    ARG  35           H        ARG  35  -2.725 -12.740   7.273
  266    HA   ARG  35           HA       ARG  35  -4.782 -11.812   5.602
  267   1HB   ARG  35          1HB       ARG  35  -4.641 -12.666   8.483
  268   2HB   ARG  35          2HB       ARG  35  -6.015 -11.671   8.018
  269   1HG   ARG  35          1HG       ARG  35  -6.328 -13.323   6.031
  270   2HG   ARG  35          2HG       ARG  35  -5.267 -14.404   6.931
  271   1HD   ARG  35          1HD       ARG  35  -6.912 -14.949   8.395
  272   2HD   ARG  35          2HD       ARG  35  -7.350 -13.275   8.692
  273    HE   ARG  35           HE       ARG  35  -8.816 -15.107   7.151
  274   1HH1  ARG  35          2HH2      ARG  35  -7.853 -11.738   6.900
  275   2HH1  ARG  35          1HH2      ARG  35  -9.221 -11.298   5.917
  276   1HH2  ARG  35          2HH1      ARG  35 -10.557 -14.503   5.896
  277   2HH2  ARG  35          1HH1      ARG  35 -10.739 -12.849   5.382
  278    H    TYR  36           H        TYR  36  -5.154  -9.896   4.899
  279    HA   TYR  36           HA       TYR  36  -4.325  -7.449   6.077
  280   1HB   TYR  36          1HB       TYR  36  -4.613  -7.571   3.728
  281   2HB   TYR  36          2HB       TYR  36  -6.228  -8.253   3.869
  282    HD1  TYR  36           1HD      TYR  36  -4.406  -5.125   4.981
  283    HD2  TYR  36           2HD      TYR  36  -8.006  -6.867   3.351
  284    HE1  TYR  36           1HE      TYR  36  -5.421  -2.865   4.799
  285    HE2  TYR  36           2HE      TYR  36  -9.002  -4.596   3.136
  286    HH   TYR  36           HH       TYR  36  -7.234  -1.642   4.072
  287   1HN   NH2  37          NH1       NHE  37  -5.319  -6.081   7.580
  288   2HN   NH2  37          NH2       NHE  37  -6.924  -6.427   8.219
  Start of MODEL    3
    1   1H    TYR   1          1H        TYR   1  14.116   5.785   9.466
    2   2H    TYR   1          2H        TYR   1  12.615   5.862   8.791
    3   3H    TYR   1          3H        TYR   1  12.818   6.262  10.373
    4    HA   TYR   1           HA       TYR   1  13.288   3.580   9.272
    5   1HB   TYR   1          1HB       TYR   1  13.577   4.812  11.993
    6   2HB   TYR   1          2HB       TYR   1  12.965   3.163  11.906
    7    HD1  TYR   1           1HD      TYR   1  15.957   5.113  11.994
    8    HD2  TYR   1           2HD      TYR   1  14.262   1.438  10.495
    9    HE1  TYR   1           1HE      TYR   1  18.238   4.109  11.816
   10    HE2  TYR   1           2HE      TYR   1  16.536   0.455  10.320
   11    HH   TYR   1           HH       TYR   1  18.896   1.159  10.160
   12    HA   PRO   2           HA       PRO   2   8.725   3.917   9.486
   13   1HB   PRO   2          1HB       PRO   2   8.244   2.585   7.095
   14   2HB   PRO   2          2HB       PRO   2   8.408   4.353   7.278
   15   1HG   PRO   2          1HG       PRO   2  10.335   2.422   6.103
   16   2HG   PRO   2          2HG       PRO   2  10.164   4.181   5.835
   17   1HD   PRO   2          1HD       PRO   2  12.058   2.836   7.524
   18   2HD   PRO   2          2HD       PRO   2  11.815   4.591   7.345
   19    H    ALA   3           H        ALA   3   7.180   1.976   9.320
   20    HA   ALA   3           HA       ALA   3   8.228  -0.250  10.833
   21   1HB   ALA   3          1HB       ALA   3   5.932  -1.042  10.742
   22   2HB   ALA   3          2HB       ALA   3   5.905   0.697  11.022
   23   3HB   ALA   3          3HB       ALA   3   5.547   0.062   9.405
   24    H    LYS   4           H        LYS   4   7.583  -2.545   9.978
   25    HA   LYS   4           HA       LYS   4   9.123  -3.319   7.715
   26   1HB   LYS   4          1HB       LYS   4   7.100  -4.668   9.475
   27   2HB   LYS   4          2HB       LYS   4   7.262  -5.324   7.861
   28   1HG   LYS   4          1HG       LYS   4   8.790  -6.583   9.075
   29   2HG   LYS   4          2HG       LYS   4   9.787  -5.397   8.233
   30   1HD   LYS   4          1HD       LYS   4   9.160  -4.075  10.620
   31   2HD   LYS   4          2HD       LYS   4   9.236  -5.745  11.150
   32   1HE   LYS   4          1HE       LYS   4  11.461  -4.730   9.372
   33   2HE   LYS   4          2HE       LYS   4  11.331  -4.021  10.985
   34   1HZ   LYS   4          1HZ       LYS   4  12.595  -5.795  11.479
   35   2HZ   LYS   4          2HZ       LYS   4  11.140  -6.533  11.634
   36   3HZ   LYS   4          3HZ       LYS   4  12.020  -6.750  10.262
   37    HA   PRO   5           HA       PRO   5   5.386  -3.046   4.857
   38   1HB   PRO   5          1HB       PRO   5   3.030  -1.860   5.711
   39   2HB   PRO   5          2HB       PRO   5   3.356  -3.612   5.712
   40   1HG   PRO   5          1HG       PRO   5   3.323  -1.716   8.014
   41   2HG   PRO   5          2HG       PRO   5   3.010  -3.485   7.982
   42   1HD   PRO   5          1HD       PRO   5   5.382  -2.170   8.773
   43   2HD   PRO   5          2HD       PRO   5   5.184  -3.916   8.501
   44    H    GLU   6           H        GLU   6   4.613  -1.300   3.479
   45    HA   GLU   6           HA       GLU   6   6.376   0.902   3.597
   46   1HB   GLU   6          1HB       GLU   6   4.961  -0.200   1.626
   47   2HB   GLU   6          2HB       GLU   6   3.783   1.043   2.103
   48   1HG   GLU   6          1HG       GLU   6   4.868   2.638   1.125
   49   2HG   GLU   6          2HG       GLU   6   6.413   2.251   1.838
   50    H    ALA   7           H        ALA   7   5.783   3.241   3.703
   51    HA   ALA   7           HA       ALA   7   3.517   3.844   5.466
   52   1HB   ALA   7          1HB       ALA   7   6.207   4.781   6.435
   53   2HB   ALA   7          2HB       ALA   7   4.745   4.339   7.359
   54   3HB   ALA   7          3HB       ALA   7   5.780   3.069   6.718
   55    HA   PRO   8           HA       PRO   8   3.780   7.711   3.331
   56   1HB   PRO   8          1HB       PRO   8   2.853   9.537   5.196
   57   2HB   PRO   8          2HB       PRO   8   1.813   8.375   4.335
   58   1HG   PRO   8          1HG       PRO   8   2.750   8.258   7.154
   59   2HG   PRO   8          2HG       PRO   8   1.247   7.628   6.409
   60   1HD   PRO   8          1HD       PRO   8   3.579   6.166   7.038
   61   2HD   PRO   8          2HD       PRO   8   2.221   5.590   6.025
   62    H    GLY   9           H        GLY   9   4.965   9.736   3.176
   63   1HA   GLY   9          1HA       GLY   9   6.735  10.768   5.130
   64   2HA   GLY   9          2HA       GLY   9   7.627   9.673   4.049
   65    H    GLU  10           H        GLU  10   8.231  12.385   4.111
   66    HA   GLU  10           HA       GLU  10   8.302  14.368   2.977
   67   1HB   GLU  10          1HB       GLU  10   8.748  12.208   0.977
   68   2HB   GLU  10          2HB       GLU  10   8.395  13.790   0.301
   69   1HG   GLU  10          1HG       GLU  10  10.163  14.780   1.812
   70   2HG   GLU  10          2HG       GLU  10  10.678  13.123   2.154
   71    H    ASP  11           H        ASP  11   6.205  14.923   3.805
   72    HA   ASP  11           HA       ASP  11   4.225  16.037   3.587
   73   1HB   ASP  11          1HB       ASP  11   5.473  16.668   1.201
   74   2HB   ASP  11          2HB       ASP  11   3.972  15.955   0.631
   75    H    ALA  12           H        ALA  12   2.730  14.636   4.477
   76    HA   ALA  12           HA       ALA  12   1.987  12.167   3.152
   77   1HB   ALA  12          1HB       ALA  12   0.792  11.653   5.065
   78   2HB   ALA  12          2HB       ALA  12   2.080  12.678   5.714
   79   3HB   ALA  12          3HB       ALA  12   0.451  13.343   5.478
   80    H    SER  13           H        SER  13   1.566  13.428   1.186
   81    HA   SER  13           HA       SER  13  -0.661  15.110   0.773
   82   1HB   SER  13          1HB       SER  13   0.102  15.177  -1.376
   83   2HB   SER  13          2HB       SER  13   1.512  14.388  -0.681
   84    HG   SER  13           HG       SER  13   1.031  12.994  -2.221
   85    HA   PRO  14           HA       PRO  14  -4.106  12.363   0.344
   86   1HB   PRO  14          1HB       PRO  14  -5.401  13.017  -2.007
   87   2HB   PRO  14          2HB       PRO  14  -5.459  13.975  -0.500
   88   1HG   PRO  14          1HG       PRO  14  -3.910  14.516  -3.001
   89   2HG   PRO  14          2HG       PRO  14  -4.575  15.673  -1.807
   90   1HD   PRO  14          1HD       PRO  14  -1.912  14.769  -2.019
   91   2HD   PRO  14          2HD       PRO  14  -2.595  15.667  -0.633
   92    H    GLU  15           H        GLU  15  -1.677  12.268  -2.174
   93    HA   GLU  15           HA       GLU  15  -2.571   9.747  -3.387
   94   1HB   GLU  15          1HB       GLU  15  -1.310  11.207  -4.764
   95   2HB   GLU  15          2HB       GLU  15  -0.033  11.423  -3.573
   96   1HG   GLU  15          1HG       GLU  15   0.816   9.222  -3.875
   97   2HG   GLU  15          2HG       GLU  15  -0.601   8.700  -4.792
   98    H    GLU  16           H        GLU  16  -0.727  10.708  -0.521
   99    HA   GLU  16           HA       GLU  16   0.708   8.275  -0.208
  100   1HB   GLU  16          1HB       GLU  16   0.601  10.737   1.099
  101   2HB   GLU  16          2HB       GLU  16  -0.068   9.636   2.296
  102   1HG   GLU  16          1HG       GLU  16   2.345   9.874   2.559
  103   2HG   GLU  16          2HG       GLU  16   1.931   8.229   2.107
  104    H    LEU  17           H        LEU  17  -2.654   9.098   0.577
  105    HA   LEU  17           HA       LEU  17  -3.134   6.763   2.188
  106   1HB   LEU  17          1HB       LEU  17  -4.738   8.895   0.970
  107   2HB   LEU  17          2HB       LEU  17  -5.527   7.355   0.732
  108    HG   LEU  17           HG       LEU  17  -6.319   8.421   2.751
  109   1HD1  LEU  17          1HD1      LEU  17  -5.908   6.607   4.403
  110   2HD1  LEU  17          2HD1      LEU  17  -6.340   6.030   2.787
  111   3HD1  LEU  17          3HD1      LEU  17  -4.670   5.924   3.346
  112   1HD2  LEU  17          1HD2      LEU  17  -4.310   9.745   3.296
  113   2HD2  LEU  17          2HD2      LEU  17  -4.931   8.849   4.692
  114   3HD2  LEU  17          3HD2      LEU  17  -3.480   8.274   3.846
  115    H    SER  18           H        SER  18  -3.222   7.254  -1.304
  116    HA   SER  18           HA       SER  18  -4.099   4.581  -2.027
  117   1HB   SER  18          1HB       SER  18  -4.351   5.898  -3.839
  118   2HB   SER  18          2HB       SER  18  -3.055   7.000  -3.396
  119    HG   SER  18           HG       SER  18  -1.632   5.820  -4.414
  120    H    ARG  19           H        ARG  19  -0.948   6.019  -1.229
  121    HA   ARG  19           HA       ARG  19   0.656   3.744  -1.937
  122   1HB   ARG  19          1HB       ARG  19   2.342   5.042  -1.283
  123   2HB   ARG  19          2HB       ARG  19   1.172   6.296  -1.049
  124   1HG   ARG  19          1HG       ARG  19   2.174   6.438   0.984
  125   2HG   ARG  19          2HG       ARG  19   1.047   5.219   1.456
  126   1HD   ARG  19          1HD       ARG  19   2.903   4.281   2.261
  127   2HD   ARG  19          2HD       ARG  19   2.923   3.542   0.659
  128    HE   ARG  19           HE       ARG  19   4.665   5.671   1.765
  129   1HH1  ARG  19          2HH2      ARG  19   4.211   3.546  -1.015
  130   2HH1  ARG  19          1HH2      ARG  19   5.582   4.203  -1.828
  131   1HH2  ARG  19          2HH1      ARG  19   6.377   6.449   0.634
  132   2HH2  ARG  19          1HH1      ARG  19   6.798   5.770  -0.924
  133    H    TYR  20           H        TYR  20  -1.194   4.491   0.973
  134    HA   TYR  20           HA       TYR  20  -0.068   2.352   2.566
  135   1HB   TYR  20          1HB       TYR  20  -1.084   4.507   3.402
  136   2HB   TYR  20          2HB       TYR  20  -2.665   3.901   2.958
  137    HD1  TYR  20           1HD      TYR  20   0.253   3.425   5.204
  138    HD2  TYR  20           2HD      TYR  20  -3.807   2.262   4.348
  139    HE1  TYR  20           1HE      TYR  20   0.098   2.338   7.440
  140    HE2  TYR  20           2HE      TYR  20  -3.961   1.174   6.579
  141    HH   TYR  20           HH       TYR  20  -2.424   0.231   8.322
  142    H    TYR  21           H        TYR  21  -3.187   2.814   0.903
  143    HA   TYR  21           HA       TYR  21  -4.269   0.219   1.378
  144   1HB   TYR  21          1HB       TYR  21  -4.736   2.414  -0.649
  145   2HB   TYR  21          2HB       TYR  21  -5.493   0.850  -0.887
  146    HD1  TYR  21           1HD      TYR  21  -6.735  -0.194   1.137
  147    HD2  TYR  21           2HD      TYR  21  -5.963   4.010   0.663
  148    HE1  TYR  21           1HE      TYR  21  -8.619   0.311   2.681
  149    HE2  TYR  21           2HE      TYR  21  -7.910   4.520   2.160
  150    HH   TYR  21           HH       TYR  21  -9.774   1.922   3.718
  151    H    ALA  22           H        ALA  22  -2.554   1.433  -1.599
  152    HA   ALA  22           HA       ALA  22  -2.574  -1.146  -2.809
  153   1HB   ALA  22          1HB       ALA  22  -1.359  -0.182  -4.526
  154   2HB   ALA  22          2HB       ALA  22  -2.161   1.229  -3.835
  155   3HB   ALA  22          3HB       ALA  22  -0.457   0.891  -3.447
  156    H    SER  23           H        SER  23  -0.167   0.447  -0.627
  157    HA   SER  23           HA       SER  23   1.800  -1.594  -0.675
  158   1HB   SER  23          1HB       SER  23   2.369   0.367   0.476
  159   2HB   SER  23          2HB       SER  23   0.935   0.303   1.520
  160    HG   SER  23           HG       SER  23   1.812  -1.237   2.711
  161    H    LEU  24           H        LEU  24  -1.040  -1.307   1.603
  162    HA   LEU  24           HA       LEU  24  -0.457  -3.676   2.997
  163   1HB   LEU  24          1HB       LEU  24  -2.366  -3.302   4.129
  164   2HB   LEU  24          2HB       LEU  24  -2.298  -1.773   3.299
  165    HG   LEU  24           HG       LEU  24  -3.807  -3.043   1.497
  166   1HD1  LEU  24          1HD1      LEU  24  -4.647  -4.541   3.999
  167   2HD1  LEU  24          2HD1      LEU  24  -5.208  -4.764   2.324
  168   3HD1  LEU  24          3HD1      LEU  24  -3.581  -5.260   2.800
  169   1HD2  LEU  24          1HD2      LEU  24  -5.608  -2.492   3.713
  170   2HD2  LEU  24          2HD2      LEU  24  -4.404  -1.212   3.503
  171   3HD2  LEU  24          3HD2      LEU  24  -5.406  -1.716   2.141
  172    H    ARG  25           H        ARG  25  -2.250  -3.272  -0.021
  173    HA   ARG  25           HA       ARG  25  -2.913  -6.063  -0.358
  174   1HB   ARG  25          1HB       ARG  25  -3.966  -3.973  -1.494
  175   2HB   ARG  25          2HB       ARG  25  -2.592  -4.047  -2.612
  176   1HG   ARG  25          1HG       ARG  25  -3.192  -6.433  -3.110
  177   2HG   ARG  25          2HG       ARG  25  -4.613  -6.270  -2.065
  178   1HD   ARG  25          1HD       ARG  25  -5.753  -4.939  -3.560
  179   2HD   ARG  25          2HD       ARG  25  -4.279  -4.217  -4.224
  180    HE   ARG  25           HE       ARG  25  -4.210  -6.920  -4.930
  181   1HH1  ARG  25          2HH2      ARG  25  -6.242  -4.178  -5.707
  182   2HH1  ARG  25          1HH2      ARG  25  -6.534  -4.688  -7.344
  183   1HH2  ARG  25          2HH1      ARG  25  -4.643  -7.603  -7.025
  184   2HH2  ARG  25          1HH1      ARG  25  -5.650  -6.630  -8.056
  185    H    HIS  26           H        HIS  26  -0.195  -4.057  -1.611
  186    HA   HIS  26           HA       HIS  26   1.083  -6.177  -3.028
  187   1HB   HIS  26          1HB       HIS  26   1.530  -3.470  -2.771
  188   2HB   HIS  26          2HB       HIS  26   2.850  -4.107  -1.811
  189    HD1  HIS  26           1HD      HIS  26   4.933  -4.037  -3.448
  190    HE1  HIS  26           1HE      HIS  26   3.108  -5.450  -7.017
  191    H    TYR  27           H        TYR  27   1.214  -5.236   0.369
  192    HA   TYR  27           HA       TYR  27   3.285  -7.011   1.210
  193   1HB   TYR  27          1HB       TYR  27   1.696  -4.956   2.362
  194   2HB   TYR  27          2HB       TYR  27   1.271  -6.378   3.267
  195    HD1  TYR  27           1HD      TYR  27   4.295  -4.693   1.819
  196    HD2  TYR  27           2HD      TYR  27   2.588  -6.820   5.162
  197    HE1  TYR  27           1HE      TYR  27   6.486  -4.596   3.001
  198    HE2  TYR  27           2HE      TYR  27   4.774  -6.674   6.362
  199    HH   TYR  27           HH       TYR  27   7.480  -4.843   5.142
  200    H    LEU  28           H        LEU  28  -0.274  -7.281   1.495
  201    HA   LEU  28           HA       LEU  28  -0.398  -9.948   2.478
  202   1HB   LEU  28          1HB       LEU  28  -2.385  -8.806   2.655
  203   2HB   LEU  28          2HB       LEU  28  -2.218  -8.028   1.087
  204    HG   LEU  28           HG       LEU  28  -2.798 -10.228  -0.023
  205   1HD1  LEU  28          1HD1      LEU  28  -2.327 -11.785   1.852
  206   2HD1  LEU  28          2HD1      LEU  28  -3.605 -11.013   2.814
  207   3HD1  LEU  28          3HD1      LEU  28  -4.005 -11.899   1.324
  208   1HD2  LEU  28          1HD2      LEU  28  -4.832  -8.946   1.824
  209   2HD2  LEU  28          2HD2      LEU  28  -4.381  -8.412   0.190
  210   3HD2  LEU  28          3HD2      LEU  28  -5.197  -9.963   0.409
  211    H    ASN  29           H        ASN  29  -0.359  -8.769  -0.949
  212    HA   ASN  29           HA       ASN  29  -0.330 -11.418  -2.066
  213   1HB   ASN  29          1HB       ASN  29   0.409  -8.648  -3.082
  214   2HB   ASN  29          2HB       ASN  29   0.709 -10.086  -4.053
  215   1HD2  ASN  29          1HD2      ASN  29  -0.753  -9.015  -5.575
  216   2HD2  ASN  29          2HD2      ASN  29  -2.462  -9.442  -5.361
  217    H    LEU  30           H        LEU  30   2.196  -9.728  -0.415
  218    HA   LEU  30           HA       LEU  30   4.361 -11.204  -1.752
  219   1HB   LEU  30          1HB       LEU  30   4.134  -8.743  -0.234
  220   2HB   LEU  30          2HB       LEU  30   5.150  -9.778   0.684
  221    HG   LEU  30           HG       LEU  30   6.093 -10.056  -1.999
  222   1HD1  LEU  30          1HD1      LEU  30   6.634  -7.655  -2.531
  223   2HD1  LEU  30          2HD1      LEU  30   4.910  -8.058  -2.685
  224   3HD1  LEU  30          3HD1      LEU  30   5.483  -7.162  -1.268
  225   1HD2  LEU  30          1HD2      LEU  30   8.117  -9.290  -1.144
  226   2HD2  LEU  30          2HD2      LEU  30   7.340  -8.249   0.073
  227   3HD2  LEU  30          3HD2      LEU  30   7.330 -10.015   0.259
  228    H    VAL  31           H        VAL  31   3.216 -10.824   1.614
  229    HA   VAL  31           HA       VAL  31   4.648 -13.215   2.511
  230    HB   VAL  31           HB       VAL  31   2.483 -11.609   3.916
  231   1HG1  VAL  31          1HG1      VAL  31   4.506 -13.641   4.963
  232   2HG1  VAL  31          2HG1      VAL  31   3.615 -12.519   6.013
  233   3HG1  VAL  31          3HG1      VAL  31   2.737 -13.728   5.078
  234   1HG2  VAL  31          1HG2      VAL  31   4.134 -10.267   4.911
  235   2HG2  VAL  31          2HG2      VAL  31   5.452 -11.386   4.494
  236   3HG2  VAL  31          3HG2      VAL  31   4.709 -10.364   3.253
  237    H    THR  32           H        THR  32   1.592 -12.659   0.990
  238    HA   THR  32           HA       THR  32  -0.223 -13.884   0.517
  239    HB   THR  32           HB       THR  32   1.208 -14.804  -1.074
  240    HG1  THR  32           1HG      THR  32  -0.367 -16.596   0.349
  241   1HG2  THR  32          1HG2      THR  32   3.153 -15.551   0.123
  242   2HG2  THR  32          2HG2      THR  32   2.201 -16.744   1.040
  243   3HG2  THR  32          3HG2      THR  32   2.456 -16.954  -0.704
  244    H    ARG  33           H        ARG  33   0.339 -13.668   3.269
  245    HA   ARG  33           HA       ARG  33  -1.531 -15.455   4.544
  246   1HB   ARG  33          1HB       ARG  33   0.508 -16.942   4.073
  247   2HB   ARG  33          2HB       ARG  33   1.422 -15.952   5.172
  248   1HG   ARG  33          1HG       ARG  33  -1.203 -17.035   6.192
  249   2HG   ARG  33          2HG       ARG  33   0.025 -18.225   5.788
  250   1HD   ARG  33          1HD       ARG  33   1.467 -16.355   7.285
  251   2HD   ARG  33          2HD       ARG  33  -0.118 -16.357   8.067
  252    HE   ARG  33           HE       ARG  33   0.695 -19.047   7.609
  253   1HH1  ARG  33          2HH2      ARG  33   1.576 -16.342   9.632
  254   2HH1  ARG  33          1HH2      ARG  33   2.288 -17.336  10.884
  255   1HH2  ARG  33          2HH1      ARG  33   1.664 -20.300   9.170
  256   2HH2  ARG  33          1HH1      ARG  33   2.329 -19.574  10.603
  257    H    GLN  34           H        GLN  34  -1.466 -12.686   4.555
  258    HA   GLN  34           HA       GLN  34  -0.891 -12.191   7.415
  259   1HB   GLN  34          1HB       GLN  34   0.912 -11.200   5.652
  260   2HB   GLN  34          2HB       GLN  34  -0.289  -9.914   5.576
  261   1HG   GLN  34          1HG       GLN  34   1.195  -9.239   7.281
  262   2HG   GLN  34          2HG       GLN  34  -0.185  -9.888   8.168
  263   1HE2  GLN  34          1HE2      GLN  34   3.253 -10.044   7.829
  264   2HE2  GLN  34          2HE2      GLN  34   3.407 -11.547   8.768
  265    H    ARG  35           H        ARG  35  -2.675 -11.641   8.353
  266    HA   ARG  35           HA       ARG  35  -5.003 -10.657   6.847
  267   1HB   ARG  35          1HB       ARG  35  -6.154 -10.727   9.029
  268   2HB   ARG  35          2HB       ARG  35  -5.406 -12.258   8.618
  269   1HG   ARG  35          1HG       ARG  35  -3.529 -10.660  10.185
  270   2HG   ARG  35          2HG       ARG  35  -5.079 -10.701  11.007
  271   1HD   ARG  35          1HD       ARG  35  -5.068 -13.077  11.155
  272   2HD   ARG  35          2HD       ARG  35  -3.788 -13.234   9.933
  273    HE   ARG  35           HE       ARG  35  -2.778 -11.689  12.081
  274   1HH1  ARG  35          2HH2      ARG  35  -3.696 -15.003  11.500
  275   2HH1  ARG  35          1HH2      ARG  35  -2.614 -15.640  12.712
  276   1HH2  ARG  35          2HH1      ARG  35  -1.375 -12.516  13.568
  277   2HH2  ARG  35          1HH1      ARG  35  -1.241 -14.225  13.820
  278    H    TYR  36           H        TYR  36  -6.012  -8.684   7.194
  279    HA   TYR  36           HA       TYR  36  -4.410  -6.340   7.506
  280   1HB   TYR  36          1HB       TYR  36  -6.403  -6.298   6.186
  281   2HB   TYR  36          2HB       TYR  36  -7.388  -6.946   7.490
  282    HD1  TYR  36           1HD      TYR  36  -5.911  -3.908   6.064
  283    HD2  TYR  36           2HD      TYR  36  -8.053  -5.563   9.417
  284    HE1  TYR  36           1HE      TYR  36  -6.459  -1.602   6.867
  285    HE2  TYR  36           2HE      TYR  36  -8.573  -3.276  10.228
  286    HH   TYR  36           HH       TYR  36  -8.104  -1.015   9.954
  287   1HN   NH2  37          NH1       NHE  37  -4.499  -4.697   9.277
  288   2HN   NH2  37          NH2       NHE  37  -4.836  -5.271  10.902
  Start of MODEL    4
    1   1H    TYR   1          1H        TYR   1  15.169  -8.883  -0.544
    2   2H    TYR   1          2H        TYR   1  14.044  -7.703  -0.229
    3   3H    TYR   1          3H        TYR   1  15.538  -7.603   0.443
    4    HA   TYR   1           HA       TYR   1  14.150 -10.022   1.028
    5   1HB   TYR   1          1HB       TYR   1  14.905  -9.372   3.375
    6   2HB   TYR   1          2HB       TYR   1  16.166  -9.629   2.199
    7    HD1  TYR   1           1HD      TYR   1  14.086  -6.829   3.699
    8    HD2  TYR   1           2HD      TYR   1  17.884  -8.037   2.006
    9    HE1  TYR   1           1HE      TYR   1  14.995  -4.566   4.113
   10    HE2  TYR   1           2HE      TYR   1  18.792  -5.769   2.475
   11    HH   TYR   1           HH       TYR   1  18.042  -3.790   4.327
   12    HA   PRO   2           HA       PRO   2  10.376  -8.052   2.430
   13   1HB   PRO   2          1HB       PRO   2   9.490  -9.891   4.254
   14   2HB   PRO   2          2HB       PRO   2   9.419 -10.149   2.489
   15   1HG   PRO   2          1HG       PRO   2  11.328 -11.336   4.478
   16   2HG   PRO   2          2HG       PRO   2  10.731 -12.013   2.933
   17   1HD   PRO   2          1HD       PRO   2  13.203 -10.740   3.416
   18   2HD   PRO   2          2HD       PRO   2  12.525 -11.183   1.818
   19    H    ALA   3           H        ALA   3   9.410  -7.119   4.351
   20    HA   ALA   3           HA       ALA   3  10.449  -7.054   6.932
   21   1HB   ALA   3          1HB       ALA   3  11.397  -4.631   6.776
   22   2HB   ALA   3          2HB       ALA   3  12.419  -5.927   6.185
   23   3HB   ALA   3          3HB       ALA   3  11.512  -4.919   5.039
   24    H    LYS   4           H        LYS   4   9.587  -4.939   7.994
   25    HA   LYS   4           HA       LYS   4   6.869  -4.628   7.959
   26   1HB   LYS   4          1HB       LYS   4   7.318  -2.346   8.979
   27   2HB   LYS   4          2HB       LYS   4   8.097  -3.709   9.744
   28   1HG   LYS   4          1HG       LYS   4   9.521  -1.710   9.648
   29   2HG   LYS   4          2HG       LYS   4  10.274  -3.084   8.838
   30   1HD   LYS   4          1HD       LYS   4   9.909  -2.154   6.684
   31   2HD   LYS   4          2HD       LYS   4   8.675  -1.036   7.298
   32   1HE   LYS   4          1HE       LYS   4  10.403   0.338   6.821
   33   2HE   LYS   4          2HE       LYS   4  10.578   0.124   8.567
   34   1HZ   LYS   4          1HZ       LYS   4  12.560  -0.912   8.229
   35   2HZ   LYS   4          2HZ       LYS   4  12.007  -1.805   6.950
   36   3HZ   LYS   4          3HZ       LYS   4  12.511  -0.267   6.723
   37    HA   PRO   5           HA       PRO   5   5.779  -2.482   4.329
   38   1HB   PRO   5          1HB       PRO   5   3.509  -1.065   5.028
   39   2HB   PRO   5          2HB       PRO   5   3.563  -2.821   4.732
   40   1HG   PRO   5          1HG       PRO   5   3.433  -1.371   7.338
   41   2HG   PRO   5          2HG       PRO   5   2.815  -2.992   6.902
   42   1HD   PRO   5          1HD       PRO   5   5.205  -2.400   8.297
   43   2HD   PRO   5          2HD       PRO   5   4.766  -3.983   7.590
   44    H    GLU   6           H        GLU   6   5.455  -0.355   3.277
   45    HA   GLU   6           HA       GLU   6   7.512   1.420   3.981
   46   1HB   GLU   6          1HB       GLU   6   5.970   1.132   1.764
   47   2HB   GLU   6          2HB       GLU   6   5.136   2.495   2.494
   48   1HG   GLU   6          1HG       GLU   6   6.701   3.610   1.218
   49   2HG   GLU   6          2HG       GLU   6   7.564   3.534   2.746
   50    H    ALA   7           H        ALA   7   7.519   3.517   4.868
   51    HA   ALA   7           HA       ALA   7   5.152   4.421   6.367
   52   1HB   ALA   7          1HB       ALA   7   6.068   4.284   8.463
   53   2HB   ALA   7          2HB       ALA   7   6.642   2.777   7.735
   54   3HB   ALA   7          3HB       ALA   7   7.742   4.160   7.888
   55    HA   PRO   8           HA       PRO   8   7.448   7.891   4.433
   56   1HB   PRO   8          1HB       PRO   8   5.215   9.394   3.773
   57   2HB   PRO   8          2HB       PRO   8   5.937   8.143   2.733
   58   1HG   PRO   8          1HG       PRO   8   3.431   7.997   4.324
   59   2HG   PRO   8          2HG       PRO   8   3.926   7.054   2.894
   60   1HD   PRO   8          1HD       PRO   8   4.004   6.218   5.601
   61   2HD   PRO   8          2HD       PRO   8   4.627   5.349   4.164
   62    H    GLY   9           H        GLY   9   7.585  10.161   5.130
   63   1HA   GLY   9          1HA       GLY   9   6.148  11.158   7.392
   64   2HA   GLY   9          2HA       GLY   9   7.780  10.598   7.828
   65    H    GLU  10           H        GLU  10   7.048  13.269   7.996
   66    HA   GLU  10           HA       GLU  10   7.824  15.369   7.583
   67   1HB   GLU  10          1HB       GLU  10   9.996  13.861   6.992
   68   2HB   GLU  10          2HB       GLU  10   9.692  14.539   5.417
   69   1HG   GLU  10          1HG       GLU  10  11.070  16.159   6.167
   70   2HG   GLU  10          2HG       GLU  10   9.572  16.835   6.777
   71    H    ASP  11           H        ASP  11   7.095  13.482   4.719
   72    HA   ASP  11           HA       ASP  11   5.541  15.734   3.532
   73   1HB   ASP  11          1HB       ASP  11   7.976  14.648   2.584
   74   2HB   ASP  11          2HB       ASP  11   6.776  13.832   1.611
   75    H    ALA  12           H        ALA  12   4.928  13.078   5.066
   76    HA   ALA  12           HA       ALA  12   3.431  11.392   3.277
   77   1HB   ALA  12          1HB       ALA  12   3.134  11.533   6.298
   78   2HB   ALA  12          2HB       ALA  12   2.828  10.164   5.217
   79   3HB   ALA  12          3HB       ALA  12   4.484  10.723   5.500
   80    H    SER  13           H        SER  13   2.421  13.322   2.313
   81    HA   SER  13           HA       SER  13   0.347  14.806   3.472
   82   1HB   SER  13          1HB       SER  13   0.112  15.715   1.397
   83   2HB   SER  13          2HB       SER  13   1.627  14.882   1.098
   84    HG   SER  13           HG       SER  13   0.622  13.468  -0.140
   85    HA   PRO  14           HA       PRO  14  -3.211  12.192   3.619
   86   1HB   PRO  14          1HB       PRO  14  -5.295  13.567   2.432
   87   2HB   PRO  14          2HB       PRO  14  -4.631  13.921   4.055
   88   1HG   PRO  14          1HG       PRO  14  -4.204  15.401   1.486
   89   2HG   PRO  14          2HG       PRO  14  -4.211  16.020   3.167
   90   1HD   PRO  14          1HD       PRO  14  -1.973  15.420   1.563
   91   2HD   PRO  14          2HD       PRO  14  -1.927  15.713   3.328
   92    H    GLU  15           H        GLU  15  -2.038  13.138   0.483
   93    HA   GLU  15           HA       GLU  15  -3.665  11.208  -0.996
   94   1HB   GLU  15          1HB       GLU  15  -1.993  13.391  -1.690
   95   2HB   GLU  15          2HB       GLU  15  -1.079  11.983  -2.201
   96   1HG   GLU  15          1HG       GLU  15  -3.747  11.478  -3.072
   97   2HG   GLU  15          2HG       GLU  15  -3.529  13.204  -3.301
   98    H    GLU  16           H        GLU  16  -0.646  11.168   0.861
   99    HA   GLU  16           HA       GLU  16   0.343   8.737  -0.337
  100   1HB   GLU  16          1HB       GLU  16   1.370  10.665   1.478
  101   2HB   GLU  16          2HB       GLU  16   1.221   9.202   2.422
  102   1HG   GLU  16          1HG       GLU  16   3.086   8.395   1.523
  103   2HG   GLU  16          2HG       GLU  16   2.361   8.377  -0.055
  104    H    LEU  17           H        LEU  17  -1.893   9.475   2.287
  105    HA   LEU  17           HA       LEU  17  -1.988   6.879   3.450
  106   1HB   LEU  17          1HB       LEU  17  -3.405   9.272   3.802
  107   2HB   LEU  17          2HB       LEU  17  -4.622   8.198   3.145
  108    HG   LEU  17           HG       LEU  17  -3.735   6.477   4.967
  109   1HD1  LEU  17          1HD1      LEU  17  -3.029   7.819   7.055
  110   2HD1  LEU  17          2HD1      LEU  17  -1.804   7.584   5.798
  111   3HD1  LEU  17          3HD1      LEU  17  -2.639   9.145   5.942
  112   1HD2  LEU  17          1HD2      LEU  17  -5.946   7.176   5.098
  113   2HD2  LEU  17          2HD2      LEU  17  -5.283   7.666   6.658
  114   3HD2  LEU  17          3HD2      LEU  17  -5.521   8.878   5.386
  115    H    SER  18           H        SER  18  -3.588   8.144   0.517
  116    HA   SER  18           HA       SER  18  -5.123   5.754  -0.056
  117   1HB   SER  18          1HB       SER  18  -4.171   7.807  -2.076
  118   2HB   SER  18          2HB       SER  18  -5.600   6.760  -2.149
  119    HG   SER  18           HG       SER  18  -5.800   8.128   0.076
  120    H    ARG  19           H        ARG  19  -1.745   6.517  -0.429
  121    HA   ARG  19           HA       ARG  19  -1.205   4.507  -2.484
  122   1HB   ARG  19          1HB       ARG  19   0.834   5.454  -2.559
  123   2HB   ARG  19          2HB       ARG  19   0.122   6.718  -1.602
  124   1HG   ARG  19          1HG       ARG  19   1.982   6.354  -0.373
  125   2HG   ARG  19          2HG       ARG  19   0.974   5.225   0.482
  126   1HD   ARG  19          1HD       ARG  19   2.258   3.503  -0.046
  127   2HD   ARG  19          2HD       ARG  19   2.214   3.897  -1.774
  128    HE   ARG  19           HE       ARG  19   3.911   5.692  -0.245
  129   1HH1  ARG  19          2HH2      ARG  19   3.923   2.600  -1.833
  130   2HH1  ARG  19          1HH2      ARG  19   5.664   2.558  -2.016
  131   1HH2  ARG  19          2HH1      ARG  19   6.124   5.653  -0.526
  132   2HH2  ARG  19          1HH1      ARG  19   6.873   4.270  -1.295
  133    H    TYR  20           H        TYR  20  -1.439   4.578   0.989
  134    HA   TYR  20           HA       TYR  20  -0.010   2.115   1.527
  135   1HB   TYR  20          1HB       TYR  20  -0.201   4.106   3.035
  136   2HB   TYR  20          2HB       TYR  20  -1.892   3.707   3.286
  137    HD1  TYR  20           1HD      TYR  20   1.570   2.237   3.582
  138    HD2  TYR  20           2HD      TYR  20  -2.489   2.260   5.049
  139    HE1  TYR  20           1HE      TYR  20   2.228   0.724   5.438
  140    HE2  TYR  20           2HE      TYR  20  -1.840   0.738   6.901
  141    HH   TYR  20           HH       TYR  20  -0.148  -0.423   7.865
  142    H    TYR  21           H        TYR  21  -2.445   2.181  -0.302
  143    HA   TYR  21           HA       TYR  21  -4.093   0.034   0.928
  144   1HB   TYR  21          1HB       TYR  21  -4.789   2.361  -0.852
  145   2HB   TYR  21          2HB       TYR  21  -5.766   0.910  -0.886
  146    HD1  TYR  21           1HD      TYR  21  -7.627   0.815   0.499
  147    HD2  TYR  21           2HD      TYR  21  -4.285   3.259   1.663
  148    HE1  TYR  21           1HE      TYR  21  -8.904   1.636   2.488
  149    HE2  TYR  21           2HE      TYR  21  -5.529   4.070   3.634
  150    HH   TYR  21           HH       TYR  21  -7.499   3.988   4.763
  151    H    ALA  22           H        ALA  22  -2.945   1.267  -2.246
  152    HA   ALA  22           HA       ALA  22  -3.395  -1.167  -3.642
  153   1HB   ALA  22          1HB       ALA  22  -1.206   0.817  -4.363
  154   2HB   ALA  22          2HB       ALA  22  -2.273  -0.120  -5.433
  155   3HB   ALA  22          3HB       ALA  22  -2.918   1.253  -4.520
  156    H    SER  23           H        SER  23  -0.519   0.089  -1.942
  157    HA   SER  23           HA       SER  23   1.182  -2.165  -2.538
  158   1HB   SER  23          1HB       SER  23   1.644   0.307  -1.453
  159   2HB   SER  23          2HB       SER  23   1.665  -0.695   0.012
  160    HG   SER  23           HG       SER  23   3.360  -0.747  -2.226
  161    H    LEU  24           H        LEU  24  -1.087  -1.492   0.169
  162    HA   LEU  24           HA       LEU  24  -0.446  -3.569   1.908
  163   1HB   LEU  24          1HB       LEU  24  -2.160  -2.733   3.016
  164   2HB   LEU  24          2HB       LEU  24  -2.472  -1.660   1.686
  165    HG   LEU  24           HG       LEU  24  -4.075  -3.388   0.736
  166   1HD1  LEU  24          1HD1      LEU  24  -3.041  -4.997   2.942
  167   2HD1  LEU  24          2HD1      LEU  24  -4.791  -4.804   3.091
  168   3HD1  LEU  24          3HD1      LEU  24  -4.105  -5.451   1.599
  169   1HD2  LEU  24          1HD2      LEU  24  -4.631  -2.151   3.434
  170   2HD2  LEU  24          2HD2      LEU  24  -5.026  -1.529   1.818
  171   3HD2  LEU  24          3HD2      LEU  24  -5.868  -2.938   2.413
  172    H    ARG  25           H        ARG  25  -2.575  -3.726  -0.938
  173    HA   ARG  25           HA       ARG  25  -3.210  -6.514  -0.630
  174   1HB   ARG  25          1HB       ARG  25  -4.413  -4.710  -2.053
  175   2HB   ARG  25          2HB       ARG  25  -3.160  -5.010  -3.277
  176   1HG   ARG  25          1HG       ARG  25  -3.791  -7.493  -3.147
  177   2HG   ARG  25          2HG       ARG  25  -5.121  -7.027  -2.085
  178   1HD   ARG  25          1HD       ARG  25  -6.389  -6.597  -3.883
  179   2HD   ARG  25          2HD       ARG  25  -5.290  -5.287  -4.322
  180    HE   ARG  25           HE       ARG  25  -4.409  -7.966  -5.135
  181   1HH1  ARG  25          2HH2      ARG  25  -6.222  -5.166  -6.185
  182   2HH1  ARG  25          1HH2      ARG  25  -6.116  -5.566  -7.874
  183   1HH2  ARG  25          2HH1      ARG  25  -4.284  -8.486  -7.321
  184   2HH2  ARG  25          1HH1      ARG  25  -5.118  -7.508  -8.478
  185    H    HIS  26           H        HIS  26  -0.706  -4.835  -2.540
  186    HA   HIS  26           HA       HIS  26   0.385  -7.261  -3.606
  187   1HB   HIS  26          1HB       HIS  26   0.748  -4.636  -4.190
  188   2HB   HIS  26          2HB       HIS  26   2.206  -4.932  -3.247
  189    HD1  HIS  26           1HD      HIS  26   4.042  -5.146  -5.130
  190    HE1  HIS  26           1HE      HIS  26   2.125  -7.934  -7.716
  191    H    TYR  27           H        TYR  27   0.774  -5.647  -0.537
  192    HA   TYR  27           HA       TYR  27   2.935  -7.258   0.440
  193   1HB   TYR  27          1HB       TYR  27   1.304  -5.046   1.360
  194   2HB   TYR  27          2HB       TYR  27   1.336  -6.271   2.596
  195    HD1  TYR  27           1HD      TYR  27   2.940  -3.388   1.603
  196    HD2  TYR  27           2HD      TYR  27   3.842  -7.446   2.684
  197    HE1  TYR  27           1HE      TYR  27   5.264  -2.726   2.216
  198    HE2  TYR  27           2HE      TYR  27   6.126  -6.779   3.411
  199    HH   TYR  27           HH       TYR  27   7.437  -4.835   3.996
  200    H    LEU  28           H        LEU  28  -0.599  -7.600   0.621
  201    HA   LEU  28           HA       LEU  28  -0.777  -9.778   2.401
  202   1HB   LEU  28          1HB       LEU  28  -2.832  -8.919   1.905
  203   2HB   LEU  28          2HB       LEU  28  -2.427  -8.591   0.254
  204    HG   LEU  28           HG       LEU  28  -2.674 -11.076  -0.245
  205   1HD1  LEU  28          1HD1      LEU  28  -3.650 -11.023   2.616
  206   2HD1  LEU  28          2HD1      LEU  28  -4.341 -12.166   1.446
  207   3HD1  LEU  28          3HD1      LEU  28  -2.612 -12.209   1.804
  208   1HD2  LEU  28          1HD2      LEU  28  -5.276  -9.943   0.707
  209   2HD2  LEU  28          2HD2      LEU  28  -4.397  -9.171  -0.617
  210   3HD2  LEU  28          3HD2      LEU  28  -4.884 -10.860  -0.757
  211    H    ASN  29           H        ASN  29  -0.139  -9.860  -1.113
  212    HA   ASN  29           HA       ASN  29   0.268 -12.747  -1.057
  213   1HB   ASN  29          1HB       ASN  29   0.755 -12.652  -3.355
  214   2HB   ASN  29          2HB       ASN  29  -0.606 -11.577  -3.059
  215   1HD2  ASN  29          1HD2      ASN  29  -0.433  -9.619  -4.189
  216   2HD2  ASN  29          2HD2      ASN  29   1.201  -8.972  -4.559
  217    H    LEU  30           H        LEU  30   2.170 -10.410   0.224
  218    HA   LEU  30           HA       LEU  30   4.747 -11.672  -0.523
  219   1HB   LEU  30          1HB       LEU  30   3.899  -9.014  -0.460
  220   2HB   LEU  30          2HB       LEU  30   4.738  -9.145   1.055
  221    HG   LEU  30           HG       LEU  30   6.381 -10.403  -0.978
  222   1HD1  LEU  30          1HD1      LEU  30   6.710  -8.475  -2.510
  223   2HD1  LEU  30          2HD1      LEU  30   5.075  -9.166  -2.634
  224   3HD1  LEU  30          3HD1      LEU  30   5.326  -7.651  -1.760
  225   1HD2  LEU  30          1HD2      LEU  30   8.042  -8.952  -0.259
  226   2HD2  LEU  30          2HD2      LEU  30   6.898  -7.653   0.159
  227   3HD2  LEU  30          3HD2      LEU  30   7.017  -9.102   1.177
  228    H    VAL  31           H        VAL  31   2.922 -10.481   2.304
  229    HA   VAL  31           HA       VAL  31   4.576 -11.832   4.275
  230    HB   VAL  31           HB       VAL  31   1.759 -10.700   4.508
  231   1HG1  VAL  31          1HG1      VAL  31   3.727 -11.686   6.614
  232   2HG1  VAL  31          2HG1      VAL  31   2.402 -10.563   6.992
  233   3HG1  VAL  31          3HG1      VAL  31   2.034 -12.178   6.382
  234   1HG2  VAL  31          1HG2      VAL  31   3.364  -8.989   3.929
  235   2HG2  VAL  31          2HG2      VAL  31   2.942  -8.794   5.627
  236   3HG2  VAL  31          3HG2      VAL  31   4.503  -9.534   5.175
  237    H    THR  32           H        THR  32   2.044 -12.945   2.161
  238    HA   THR  32           HA       THR  32   1.297 -15.284   3.665
  239    HB   THR  32           HB       THR  32  -0.068 -14.335   1.791
  240    HG1  THR  32           1HG      THR  32   0.834 -16.991   1.731
  241   1HG2  THR  32          1HG2      THR  32   1.713 -15.939  -0.079
  242   2HG2  THR  32          2HG2      THR  32   0.399 -14.824  -0.473
  243   3HG2  THR  32          3HG2      THR  32   1.942 -14.210   0.177
  244    H    ARG  33           H        ARG  33   4.318 -14.697   2.857
  245    HA   ARG  33           HA       ARG  33   5.048 -17.511   2.772
  246   1HB   ARG  33          1HB       ARG  33   4.594 -16.544   0.284
  247   2HB   ARG  33          2HB       ARG  33   6.236 -15.949   0.464
  248   1HG   ARG  33          1HG       ARG  33   6.499 -18.539   1.413
  249   2HG   ARG  33          2HG       ARG  33   5.175 -18.761   0.277
  250   1HD   ARG  33          1HD       ARG  33   7.669 -17.280  -0.593
  251   2HD   ARG  33          2HD       ARG  33   7.739 -19.032  -0.378
  252    HE   ARG  33           HE       ARG  33   5.470 -18.435  -1.980
  253   1HH1  ARG  33          2HH2      ARG  33   8.953 -18.443  -2.236
  254   2HH1  ARG  33          1HH2      ARG  33   8.957 -18.843  -3.937
  255   1HH2  ARG  33          2HH1      ARG  33   5.503 -18.952  -4.185
  256   2HH2  ARG  33          1HH1      ARG  33   7.031 -19.051  -5.021
  257    H    GLN  34           H        GLN  34   5.532 -15.662   4.762
  258    HA   GLN  34           HA       GLN  34   8.494 -15.409   4.631
  259   1HB   GLN  34          1HB       GLN  34   7.040 -13.296   4.000
  260   2HB   GLN  34          2HB       GLN  34   6.874 -13.089   5.723
  261   1HG   GLN  34          1HG       GLN  34   9.654 -13.627   4.666
  262   2HG   GLN  34          2HG       GLN  34   8.847 -12.145   4.197
  263   1HE2  GLN  34          1HE2      GLN  34  10.460 -13.787   6.910
  264   2HE2  GLN  34          2HE2      GLN  34  10.360 -12.326   7.901
  265    H    ARG  35           H        ARG  35   8.127 -17.382   5.927
  266    HA   ARG  35           HA       ARG  35   8.040 -18.586   7.887
  267   1HB   ARG  35          1HB       ARG  35  10.135 -17.340   8.225
  268   2HB   ARG  35          2HB       ARG  35   9.237 -16.034   9.003
  269   1HG   ARG  35          1HG       ARG  35   8.422 -17.993  10.659
  270   2HG   ARG  35          2HG       ARG  35   9.822 -18.832  10.003
  271   1HD   ARG  35          1HD       ARG  35  10.649 -17.744  11.910
  272   2HD   ARG  35          2HD       ARG  35  11.121 -16.643  10.599
  273    HE   ARG  35           HE       ARG  35   8.529 -15.939  11.634
  274   1HH1  ARG  35          2HH2      ARG  35  11.889 -15.675  12.423
  275   2HH1  ARG  35          1HH2      ARG  35  11.697 -14.287  13.481
  276   1HH2  ARG  35          2HH1      ARG  35   8.247 -14.310  13.193
  277   2HH2  ARG  35          1HH1      ARG  35   9.652 -13.486  13.819
  278    H    TYR  36           H        TYR  36   5.796 -18.761   7.920
  279    HA   TYR  36           HA       TYR  36   4.000 -16.996   9.186
  280   1HB   TYR  36          1HB       TYR  36   3.613 -19.084   7.682
  281   2HB   TYR  36          2HB       TYR  36   3.685 -20.017   9.171
  282    HD1  TYR  36           1HD      TYR  36   1.815 -19.957  10.752
  283    HD2  TYR  36           2HD      TYR  36   1.877 -17.371   7.301
  284    HE1  TYR  36           1HE      TYR  36  -0.576 -19.357  11.152
  285    HE2  TYR  36           2HE      TYR  36  -0.494 -16.768   7.698
  286    HH   TYR  36           HH       TYR  36  -2.248 -16.960   9.106
  287   1HN   NH2  37          NH1       NHE  37   5.585 -19.934  10.723
  288   2HN   NH2  37          NH2       NHE  37   5.301 -19.294  12.338
  Start of MODEL    5
    1   1H    TYR   1          1H        TYR   1   7.767   3.677  15.842
    2   2H    TYR   1          2H        TYR   1   7.122   3.546  17.352
    3   3H    TYR   1          3H        TYR   1   8.762   3.508  17.153
    4    HA   TYR   1           HA       TYR   1   8.530   1.303  17.207
    5   1HB   TYR   1          1HB       TYR   1   6.406   0.159  16.817
    6   2HB   TYR   1          2HB       TYR   1   6.222   1.449  17.980
    7    HD1  TYR   1           1HD      TYR   1   5.084   3.653  17.249
    8    HD2  TYR   1           2HD      TYR   1   5.062   0.060  14.842
    9    HE1  TYR   1           1HE      TYR   1   3.265   4.570  15.861
   10    HE2  TYR   1           2HE      TYR   1   3.225   0.986  13.480
   11    HH   TYR   1           HH       TYR   1   1.300   3.309  14.366
   12    HA   PRO   2           HA       PRO   2   9.505   0.623  12.914
   13   1HB   PRO   2          1HB       PRO   2   9.606  -2.127  12.741
   14   2HB   PRO   2          2HB       PRO   2  10.887  -1.110  13.456
   15   1HG   PRO   2          1HG       PRO   2   8.849  -2.815  14.826
   16   2HG   PRO   2          2HG       PRO   2  10.481  -2.330  15.375
   17   1HD   PRO   2          1HD       PRO   2   7.990  -1.207  16.149
   18   2HD   PRO   2          2HD       PRO   2   9.608  -0.545  16.517
   19    H    ALA   3           H        ALA   3   8.627  -0.132  10.916
   20    HA   ALA   3           HA       ALA   3   5.918  -1.310  10.937
   21   1HB   ALA   3          1HB       ALA   3   5.117   0.334   9.362
   22   2HB   ALA   3          2HB       ALA   3   5.728   1.182  10.796
   23   3HB   ALA   3          3HB       ALA   3   6.702   1.129   9.313
   24    H    LYS   4           H        LYS   4   6.343  -3.212   9.978
   25    HA   LYS   4           HA       LYS   4   8.318  -3.840   8.017
   26   1HB   LYS   4          1HB       LYS   4   5.692  -5.021   8.891
   27   2HB   LYS   4          2HB       LYS   4   6.328  -5.554   7.345
   28   1HG   LYS   4          1HG       LYS   4   7.949  -6.816   8.249
   29   2HG   LYS   4          2HG       LYS   4   8.431  -5.568   9.391
   30   1HD   LYS   4          1HD       LYS   4   7.640  -6.890  11.009
   31   2HD   LYS   4          2HD       LYS   4   6.038  -6.403  10.517
   32   1HE   LYS   4          1HE       LYS   4   5.936  -8.729  10.610
   33   2HE   LYS   4          2HE       LYS   4   6.059  -8.396   8.882
   34   1HZ   LYS   4          1HZ       LYS   4   7.605 -10.175   9.949
   35   2HZ   LYS   4          2HZ       LYS   4   8.266  -9.129   8.865
   36   3HZ   LYS   4          3HZ       LYS   4   8.495  -8.911  10.470
   37    HA   PRO   5           HA       PRO   5   5.470  -2.534   4.536
   38   1HB   PRO   5          1HB       PRO   5   3.140  -1.152   4.962
   39   2HB   PRO   5          2HB       PRO   5   3.239  -2.930   4.849
   40   1HG   PRO   5          1HG       PRO   5   2.931  -1.230   7.298
   41   2HG   PRO   5          2HG       PRO   5   2.332  -2.882   6.973
   42   1HD   PRO   5          1HD       PRO   5   4.626  -2.145   8.439
   43   2HD   PRO   5          2HD       PRO   5   4.224  -3.791   7.860
   44    H    GLU   6           H        GLU   6   5.219  -0.499   3.369
   45    HA   GLU   6           HA       GLU   6   7.208   1.303   4.107
   46   1HB   GLU   6          1HB       GLU   6   6.010   0.811   1.836
   47   2HB   GLU   6          2HB       GLU   6   4.896   2.095   2.304
   48   1HG   GLU   6          1HG       GLU   6   6.535   3.759   2.235
   49   2HG   GLU   6          2HG       GLU   6   7.867   2.655   2.493
   50    H    ALA   7           H        ALA   7   7.195   3.489   4.794
   51    HA   ALA   7           HA       ALA   7   4.796   4.371   6.263
   52   1HB   ALA   7          1HB       ALA   7   6.355   3.018   7.730
   53   2HB   ALA   7          2HB       ALA   7   7.540   4.336   7.540
   54   3HB   ALA   7          3HB       ALA   7   5.957   4.653   8.285
   55    HA   PRO   8           HA       PRO   8   6.423   8.015   4.112
   56   1HB   PRO   8          1HB       PRO   8   4.358   9.735   4.791
   57   2HB   PRO   8          2HB       PRO   8   4.395   8.571   3.433
   58   1HG   PRO   8          1HG       PRO   8   2.921   8.339   6.028
   59   2HG   PRO   8          2HG       PRO   8   2.497   7.679   4.426
   60   1HD   PRO   8          1HD       PRO   8   3.738   6.360   6.614
   61   2HD   PRO   8          2HD       PRO   8   3.562   5.719   4.957
   62    H    GLY   9           H        GLY   9   7.178  10.139   4.746
   63   1HA   GLY   9          1HA       GLY   9   8.267  10.188   7.468
   64   2HA   GLY   9          2HA       GLY   9   8.594  11.328   6.144
   65    H    GLU  10           H        GLU  10   8.302  13.091   7.585
   66    HA   GLU  10           HA       GLU  10   5.821  13.525   9.001
   67   1HB   GLU  10          1HB       GLU  10   8.466  14.494   9.139
   68   2HB   GLU  10          2HB       GLU  10   7.528  15.911   8.688
   69   1HG   GLU  10          1HG       GLU  10   6.276  15.858  10.682
   70   2HG   GLU  10          2HG       GLU  10   6.456  14.125  10.886
   71    H    ASP  11           H        ASP  11   5.597  13.103   6.154
   72    HA   ASP  11           HA       ASP  11   3.972  15.423   5.343
   73   1HB   ASP  11          1HB       ASP  11   4.926  15.435   3.146
   74   2HB   ASP  11          2HB       ASP  11   6.179  15.690   4.341
   75    H    ALA  12           H        ALA  12   3.393  12.650   6.396
   76    HA   ALA  12           HA       ALA  12   2.201  11.037   4.411
   77   1HB   ALA  12          1HB       ALA  12   1.170   9.874   6.217
   78   2HB   ALA  12          2HB       ALA  12   2.773  10.410   6.791
   79   3HB   ALA  12          3HB       ALA  12   1.310  11.265   7.310
   80    H    SER  13           H        SER  13   1.373  12.892   3.177
   81    HA   SER  13           HA       SER  13  -0.955  14.326   3.856
   82   1HB   SER  13          1HB       SER  13  -0.734  15.243   1.765
   83   2HB   SER  13          2HB       SER  13   0.851  14.495   1.870
   84    HG   SER  13           HG       SER  13   0.301  13.104   0.377
   85    HA   PRO  14           HA       PRO  14  -4.329  11.545   3.088
   86   1HB   PRO  14          1HB       PRO  14  -6.124  12.890   1.471
   87   2HB   PRO  14          2HB       PRO  14  -5.881  13.212   3.213
   88   1HG   PRO  14          1HG       PRO  14  -4.923  14.785   0.850
   89   2HG   PRO  14          2HG       PRO  14  -5.357  15.359   2.490
   90   1HD   PRO  14          1HD       PRO  14  -2.779  14.879   1.458
   91   2HD   PRO  14          2HD       PRO  14  -3.167  15.145   3.182
   92    H    GLU  15           H        GLU  15  -2.457  12.666   0.357
   93    HA   GLU  15           HA       GLU  15  -3.598  10.763  -1.550
   94   1HB   GLU  15          1HB       GLU  15  -2.393  12.974  -2.067
   95   2HB   GLU  15          2HB       GLU  15  -0.889  12.141  -1.695
   96   1HG   GLU  15          1HG       GLU  15  -2.529  10.522  -3.518
   97   2HG   GLU  15          2HG       GLU  15  -2.433  12.169  -4.119
   98    H    GLU  16           H        GLU  16  -1.017  10.797   0.903
   99    HA   GLU  16           HA       GLU  16   0.316   8.466  -0.046
  100   1HB   GLU  16          1HB       GLU  16   0.655  10.363   2.079
  101   2HB   GLU  16          2HB       GLU  16   0.576   8.790   2.849
  102   1HG   GLU  16          1HG       GLU  16   2.660   8.312   2.208
  103   2HG   GLU  16          2HG       GLU  16   2.279   8.518   0.518
  104    H    LEU  17           H        LEU  17  -2.507   8.841   1.986
  105    HA   LEU  17           HA       LEU  17  -2.711   6.165   3.014
  106   1HB   LEU  17          1HB       LEU  17  -4.522   8.464   2.419
  107   2HB   LEU  17          2HB       LEU  17  -5.320   6.906   2.423
  108    HG   LEU  17           HG       LEU  17  -3.467   7.601   4.729
  109   1HD1  LEU  17          1HD1      LEU  17  -5.589   8.498   5.870
  110   2HD1  LEU  17          2HD1      LEU  17  -4.763   9.551   4.706
  111   3HD1  LEU  17          3HD1      LEU  17  -6.247   8.701   4.224
  112   1HD2  LEU  17          1HD2      LEU  17  -5.900   5.811   4.317
  113   2HD2  LEU  17          2HD2      LEU  17  -4.242   5.348   4.756
  114   3HD2  LEU  17          3HD2      LEU  17  -5.258   6.201   5.924
  115    H    SER  18           H        SER  18  -3.423   7.467  -0.209
  116    HA   SER  18           HA       SER  18  -4.595   4.990  -1.247
  117   1HB   SER  18          1HB       SER  18  -3.416   7.340  -2.796
  118   2HB   SER  18          2HB       SER  18  -4.443   6.043  -3.425
  119    HG   SER  18           HG       SER  18  -5.141   8.042  -1.548
  120    H    ARG  19           H        ARG  19  -1.338   6.216  -0.780
  121    HA   ARG  19           HA       ARG  19  -0.032   4.310  -2.565
  122   1HB   ARG  19          1HB       ARG  19   1.833   5.464  -2.072
  123   2HB   ARG  19          2HB       ARG  19   0.777   6.613  -1.309
  124   1HG   ARG  19          1HG       ARG  19   2.241   6.369   0.396
  125   2HG   ARG  19          2HG       ARG  19   1.221   5.057   0.877
  126   1HD   ARG  19          1HD       ARG  19   2.988   3.736   0.862
  127   2HD   ARG  19          2HD       ARG  19   2.972   3.809  -0.894
  128    HE   ARG  19           HE       ARG  19   4.797   5.280  -0.838
  129   1HH1  ARG  19          2HH2      ARG  19   3.565   5.025   2.425
  130   2HH1  ARG  19          1HH2      ARG  19   4.857   5.995   3.099
  131   1HH2  ARG  19          2HH1      ARG  19   6.539   6.209   0.096
  132   2HH2  ARG  19          1HH1      ARG  19   6.501   6.728   1.756
  133    H    TYR  20           H        TYR  20  -1.118   4.385   0.769
  134    HA   TYR  20           HA       TYR  20   0.358   2.028   1.579
  135   1HB   TYR  20          1HB       TYR  20  -0.260   3.927   3.092
  136   2HB   TYR  20          2HB       TYR  20  -1.947   3.450   2.971
  137    HD1  TYR  20           1HD      TYR  20   1.426   1.942   3.769
  138    HD2  TYR  20           2HD      TYR  20  -2.798   2.052   4.676
  139    HE1  TYR  20           1HE      TYR  20   1.808   0.463   5.706
  140    HE2  TYR  20           2HE      TYR  20  -2.399   0.550   6.636
  141    HH   TYR  20           HH       TYR  20   0.833  -0.279   7.692
  142    H    TYR  21           H        TYR  21  -3.146   2.664   1.116
  143    HA   TYR  21           HA       TYR  21  -4.149   0.041   1.487
  144   1HB   TYR  21          1HB       TYR  21  -4.975   2.526   0.023
  145   2HB   TYR  21          2HB       TYR  21  -5.731   1.041  -0.502
  146    HD1  TYR  21           1HD      TYR  21  -4.834   2.496   2.894
  147    HD2  TYR  21           2HD      TYR  21  -7.840   0.749   0.339
  148    HE1  TYR  21           1HE      TYR  21  -6.477   2.597   4.758
  149    HE2  TYR  21           2HE      TYR  21  -9.493   0.891   2.202
  150    HH   TYR  21           HH       TYR  21  -8.610   1.567   5.453
  151    H    ALA  22           H        ALA  22  -2.786   1.479  -1.502
  152    HA   ALA  22           HA       ALA  22  -3.186  -0.850  -3.120
  153   1HB   ALA  22          1HB       ALA  22  -0.949   1.121  -3.642
  154   2HB   ALA  22          2HB       ALA  22  -2.096   0.361  -4.770
  155   3HB   ALA  22          3HB       ALA  22  -2.630   1.684  -3.722
  156    H    SER  23           H        SER  23  -0.356   0.327  -1.227
  157    HA   SER  23           HA       SER  23   1.371  -1.847  -1.869
  158   1HB   SER  23          1HB       SER  23   1.713   0.486  -0.468
  159   2HB   SER  23          2HB       SER  23   1.668  -0.679   0.855
  160    HG   SER  23           HG       SER  23   3.344  -0.644  -1.424
  161    H    LEU  24           H        LEU  24  -1.016  -1.462   0.760
  162    HA   LEU  24           HA       LEU  24  -0.485  -3.744   2.306
  163   1HB   LEU  24          1HB       LEU  24  -2.951  -2.111   1.719
  164   2HB   LEU  24          2HB       LEU  24  -3.147  -3.631   2.555
  165    HG   LEU  24           HG       LEU  24  -1.436  -1.318   3.539
  166   1HD1  LEU  24          1HD1      LEU  24  -3.859  -0.895   3.629
  167   2HD1  LEU  24          2HD1      LEU  24  -4.120  -2.458   4.439
  168   3HD1  LEU  24          3HD1      LEU  24  -3.223  -1.169   5.257
  169   1HD2  LEU  24          1HD2      LEU  24  -1.761  -4.160   4.447
  170   2HD2  LEU  24          2HD2      LEU  24  -0.367  -3.076   4.586
  171   3HD2  LEU  24          3HD2      LEU  24  -1.728  -2.915   5.700
  172    H    ARG  25           H        ARG  25  -2.731  -3.501  -0.491
  173    HA   ARG  25           HA       ARG  25  -3.354  -6.287  -0.535
  174   1HB   ARG  25          1HB       ARG  25  -4.533  -4.384  -1.756
  175   2HB   ARG  25          2HB       ARG  25  -3.257  -4.483  -2.983
  176   1HG   ARG  25          1HG       ARG  25  -3.876  -6.705  -3.607
  177   2HG   ARG  25          2HG       ARG  25  -4.806  -6.959  -2.120
  178   1HD   ARG  25          1HD       ARG  25  -6.488  -5.357  -2.791
  179   2HD   ARG  25          2HD       ARG  25  -5.587  -4.931  -4.244
  180    HE   ARG  25           HE       ARG  25  -7.227  -7.299  -3.772
  181   1HH1  ARG  25          2HH2      ARG  25  -4.816  -5.957  -5.860
  182   2HH1  ARG  25          1HH2      ARG  25  -5.180  -7.011  -7.208
  183   1HH2  ARG  25          2HH1      ARG  25  -7.651  -8.713  -5.482
  184   2HH2  ARG  25          1HH1      ARG  25  -6.857  -8.485  -6.998
  185    H    HIS  26           H        HIS  26  -0.709  -4.495  -2.089
  186    HA   HIS  26           HA       HIS  26   0.399  -6.805  -3.398
  187   1HB   HIS  26          1HB       HIS  26   0.850  -4.128  -3.577
  188   2HB   HIS  26          2HB       HIS  26   2.241  -4.595  -2.615
  189    HD1  HIS  26           1HD      HIS  26   4.226  -4.796  -4.343
  190    HE1  HIS  26           1HE      HIS  26   2.251  -6.846  -7.505
  191    H    TYR  27           H        TYR  27   0.819  -5.430  -0.183
  192    HA   TYR  27           HA       TYR  27   2.890  -7.071   0.816
  193   1HB   TYR  27          1HB       TYR  27   1.218  -4.964   1.763
  194   2HB   TYR  27          2HB       TYR  27   1.011  -6.271   2.885
  195    HD1  TYR  27           1HD      TYR  27   3.330  -3.826   1.448
  196    HD2  TYR  27           2HD      TYR  27   2.933  -7.145   4.152
  197    HE1  TYR  27           1HE      TYR  27   5.635  -3.402   2.300
  198    HE2  TYR  27           2HE      TYR  27   5.244  -6.716   5.017
  199    HH   TYR  27           HH       TYR  27   7.168  -4.000   4.308
  200    H    LEU  28           H        LEU  28  -0.629  -7.500   0.820
  201    HA   LEU  28           HA       LEU  28  -0.838  -9.886   2.342
  202   1HB   LEU  28          1HB       LEU  28  -2.858  -8.846   1.878
  203   2HB   LEU  28          2HB       LEU  28  -2.443  -8.512   0.215
  204    HG   LEU  28           HG       LEU  28  -2.727 -10.982  -0.295
  205   1HD1  LEU  28          1HD1      LEU  28  -4.570 -11.516   1.886
  206   2HD1  LEU  28          2HD1      LEU  28  -3.216 -12.475   1.269
  207   3HD1  LEU  28          3HD1      LEU  28  -2.933 -11.258   2.515
  208   1HD2  LEU  28          1HD2      LEU  28  -5.088  -9.321   0.623
  209   2HD2  LEU  28          2HD2      LEU  28  -4.348  -9.389  -0.996
  210   3HD2  LEU  28          3HD2      LEU  28  -5.194 -10.809  -0.360
  211    H    ASN  29           H        ASN  29  -0.258  -9.513  -1.185
  212    HA   ASN  29           HA       ASN  29   0.195 -12.382  -1.504
  213   1HB   ASN  29          1HB       ASN  29   0.630 -10.088  -3.436
  214   2HB   ASN  29          2HB       ASN  29   0.768 -11.808  -3.826
  215   1HD2  ASN  29          1HD2      ASN  29  -0.903 -10.575  -5.437
  216   2HD2  ASN  29          2HD2      ASN  29  -2.572 -10.907  -4.909
  217    H    LEU  30           H        LEU  30   2.114 -10.138  -0.059
  218    HA   LEU  30           HA       LEU  30   4.692 -11.221  -1.077
  219   1HB   LEU  30          1HB       LEU  30   3.785  -8.633  -0.300
  220   2HB   LEU  30          2HB       LEU  30   4.850  -9.124   0.971
  221    HG   LEU  30           HG       LEU  30   6.191  -9.750  -1.510
  222   1HD1  LEU  30          1HD1      LEU  30   4.744  -8.311  -2.755
  223   2HD1  LEU  30          2HD1      LEU  30   4.830  -7.033  -1.531
  224   3HD1  LEU  30          3HD1      LEU  30   6.259  -7.429  -2.506
  225   1HD2  LEU  30          1HD2      LEU  30   7.670  -7.805  -0.724
  226   2HD2  LEU  30          2HD2      LEU  30   6.565  -7.664   0.662
  227   3HD2  LEU  30          3HD2      LEU  30   7.458  -9.185   0.377
  228    H    VAL  31           H        VAL  31   3.087 -10.469   2.051
  229    HA   VAL  31           HA       VAL  31   4.828 -12.109   3.652
  230    HB   VAL  31           HB       VAL  31   2.039 -11.006   4.136
  231   1HG1  VAL  31          1HG1      VAL  31   3.824 -12.623   5.997
  232   2HG1  VAL  31          2HG1      VAL  31   2.631 -11.458   6.613
  233   3HG1  VAL  31          3HG1      VAL  31   2.093 -12.834   5.647
  234   1HG2  VAL  31          1HG2      VAL  31   3.924  -9.370   3.944
  235   2HG2  VAL  31          2HG2      VAL  31   3.222  -9.408   5.565
  236   3HG2  VAL  31          3HG2      VAL  31   4.773 -10.218   5.247
  237    H    THR  32           H        THR  32   2.108 -12.961   1.623
  238    HA   THR  32           HA       THR  32   1.765 -15.633   2.699
  239    HB   THR  32           HB       THR  32   0.136 -14.179   1.335
  240    HG1  THR  32           1HG      THR  32  -0.981 -15.875   1.250
  241   1HG2  THR  32          1HG2      THR  32  -0.032 -14.554  -1.014
  242   2HG2  THR  32          2HG2      THR  32   1.641 -14.023  -0.717
  243   3HG2  THR  32          3HG2      THR  32   1.290 -15.731  -1.010
  244    H    ARG  33           H        ARG  33   4.452 -14.416   1.232
  245    HA   ARG  33           HA       ARG  33   5.393 -17.114   0.528
  246   1HB   ARG  33          1HB       ARG  33   4.368 -15.982  -1.518
  247   2HB   ARG  33          2HB       ARG  33   5.680 -14.826  -1.465
  248   1HG   ARG  33          1HG       ARG  33   6.435 -17.750  -1.410
  249   2HG   ARG  33          2HG       ARG  33   5.643 -17.193  -2.867
  250   1HD   ARG  33          1HD       ARG  33   7.568 -16.431  -3.664
  251   2HD   ARG  33          2HD       ARG  33   7.620 -15.242  -2.362
  252    HE   ARG  33           HE       ARG  33   8.597 -17.903  -1.612
  253   1HH1  ARG  33          2HH2      ARG  33   9.527 -14.733  -2.717
  254   2HH1  ARG  33          1HH2      ARG  33  11.206 -14.924  -2.295
  255   1HH2  ARG  33          2HH1      ARG  33  10.758 -18.133  -1.047
  256   2HH2  ARG  33          1HH1      ARG  33  11.854 -16.807  -1.208
  257    H    GLN  34           H        GLN  34   6.016 -15.453   2.802
  258    HA   GLN  34           HA       GLN  34   8.925 -15.138   2.277
  259   1HB   GLN  34          1HB       GLN  34   7.327 -12.912   2.448
  260   2HB   GLN  34          2HB       GLN  34   7.730 -13.146   4.144
  261   1HG   GLN  34          1HG       GLN  34   9.340 -11.644   3.125
  262   2HG   GLN  34          2HG       GLN  34  10.167 -13.150   3.516
  263   1HE2  GLN  34          1HE2      GLN  34  11.763 -13.417   1.869
  264   2HE2  GLN  34          2HE2      GLN  34  11.293 -13.240   0.166
  265    H    ARG  35           H        ARG  35  10.232 -15.048   4.263
  266    HA   ARG  35           HA       ARG  35   9.577 -17.302   5.915
  267   1HB   ARG  35          1HB       ARG  35  11.917 -16.063   5.164
  268   2HB   ARG  35          2HB       ARG  35  11.770 -15.440   6.800
  269   1HG   ARG  35          1HG       ARG  35  11.458 -18.414   6.225
  270   2HG   ARG  35          2HG       ARG  35  13.058 -17.678   6.303
  271   1HD   ARG  35          1HD       ARG  35  12.724 -16.957   8.589
  272   2HD   ARG  35          2HD       ARG  35  11.039 -17.503   8.569
  273    HE   ARG  35           HE       ARG  35  12.696 -19.710   7.900
  274   1HH1  ARG  35          2HH2      ARG  35  11.540 -17.937  10.699
  275   2HH1  ARG  35          1HH2      ARG  35  11.847 -19.262  11.763
  276   1HH2  ARG  35          2HH1      ARG  35  13.092 -21.368   9.356
  277   2HH2  ARG  35          1HH1      ARG  35  12.751 -21.116  11.038
  278    H    TYR  36           H        TYR  36   8.912 -17.433   7.972
  279    HA   TYR  36           HA       TYR  36   7.778 -14.996   9.221
  280   1HB   TYR  36          1HB       TYR  36   6.638 -17.450   8.532
  281   2HB   TYR  36          2HB       TYR  36   6.883 -17.592  10.258
  282    HD1  TYR  36           1HD      TYR  36   5.793 -15.919  11.804
  283    HD2  TYR  36           2HD      TYR  36   5.018 -15.959   7.556
  284    HE1  TYR  36           1HE      TYR  36   3.711 -14.558  12.152
  285    HE2  TYR  36           2HE      TYR  36   2.958 -14.628   7.908
  286    HH   TYR  36           HH       TYR  36   1.369 -14.056   9.657
  287   1HN   NH2  37          NH1       NHE  37   9.326 -14.117  10.639
  288   2HN   NH2  37          NH2       NHE  37  10.128 -15.137  11.826
  Start of MODEL    6
    1   1H    TYR   1          1H        TYR   1  11.648  -8.826  11.640
    2   2H    TYR   1          2H        TYR   1  11.624  -7.426  12.515
    3   3H    TYR   1          3H        TYR   1  10.208  -8.155  12.086
    4    HA   TYR   1           HA       TYR   1  12.156  -6.894  10.280
    5   1HB   TYR   1          1HB       TYR   1   9.545  -8.267   9.572
    6   2HB   TYR   1          2HB       TYR   1  10.698  -7.569   8.459
    7    HD1  TYR   1           1HD      TYR   1   9.509 -10.571   9.613
    8    HD2  TYR   1           2HD      TYR   1  13.284  -8.589   8.874
    9    HE1  TYR   1           1HE      TYR   1  10.663 -12.774   9.414
   10    HE2  TYR   1           2HE      TYR   1  14.402 -10.793   8.711
   11    HH   TYR   1           HH       TYR   1  14.146 -13.093   8.870
   12    HA   PRO   2           HA       PRO   2   9.040  -3.788  11.798
   13   1HB   PRO   2          1HB       PRO   2  10.754  -1.928  12.869
   14   2HB   PRO   2          2HB       PRO   2  10.108  -3.315  13.783
   15   1HG   PRO   2          1HG       PRO   2  12.852  -2.929  12.642
   16   2HG   PRO   2          2HG       PRO   2  12.332  -3.866  14.078
   17   1HD   PRO   2          1HD       PRO   2  12.887  -4.854  11.451
   18   2HD   PRO   2          2HD       PRO   2  12.193  -5.758  12.830
   19    H    ALA   3           H        ALA   3   8.732  -1.607  10.966
   20    HA   ALA   3           HA       ALA   3   8.447  -0.333   9.098
   21   1HB   ALA   3          1HB       ALA   3  10.281   1.201   8.765
   22   2HB   ALA   3          2HB       ALA   3  10.168   0.794  10.493
   23   3HB   ALA   3          3HB       ALA   3  11.434   0.056   9.483
   24    H    LYS   4           H        LYS   4   8.556  -2.952   8.320
   25    HA   LYS   4           HA       LYS   4  10.205  -3.200   5.903
   26   1HB   LYS   4          1HB       LYS   4   8.775  -5.038   7.670
   27   2HB   LYS   4          2HB       LYS   4   8.268  -5.306   6.020
   28   1HG   LYS   4          1HG       LYS   4  10.127  -6.720   6.491
   29   2HG   LYS   4          2HG       LYS   4  10.606  -5.542   5.276
   30   1HD   LYS   4          1HD       LYS   4  11.858  -4.224   6.948
   31   2HD   LYS   4          2HD       LYS   4  11.173  -5.188   8.241
   32   1HE   LYS   4          1HE       LYS   4  13.117  -6.331   8.118
   33   2HE   LYS   4          2HE       LYS   4  12.271  -7.206   6.836
   34   1HZ   LYS   4          1HZ       LYS   4  14.385  -6.569   5.994
   35   2HZ   LYS   4          2HZ       LYS   4  13.351  -5.533   5.254
   36   3HZ   LYS   4          3HZ       LYS   4  14.256  -5.033   6.545
   37    HA   PRO   5           HA       PRO   5   6.158  -2.732   3.593
   38   1HB   PRO   5          1HB       PRO   5   3.864  -1.903   4.959
   39   2HB   PRO   5          2HB       PRO   5   4.228  -3.564   4.459
   40   1HG   PRO   5          1HG       PRO   5   4.305  -2.402   7.173
   41   2HG   PRO   5          2HG       PRO   5   4.234  -4.114   6.671
   42   1HD   PRO   5          1HD       PRO   5   6.508  -2.617   7.576
   43   2HD   PRO   5          2HD       PRO   5   6.466  -4.313   7.025
   44    H    GLU   6           H        GLU   6   5.268  -0.855   2.655
   45    HA   GLU   6           HA       GLU   6   6.744   1.499   3.205
   46   1HB   GLU   6          1HB       GLU   6   5.345   0.611   1.081
   47   2HB   GLU   6          2HB       GLU   6   4.087   1.610   1.797
   48   1HG   GLU   6          1HG       GLU   6   4.983   3.341   0.787
   49   2HG   GLU   6          2HG       GLU   6   6.379   3.270   1.842
   50    H    ALA   7           H        ALA   7   5.928   3.592   3.931
   51    HA   ALA   7           HA       ALA   7   3.597   3.478   5.733
   52   1HB   ALA   7          1HB       ALA   7   5.861   2.807   6.892
   53   2HB   ALA   7          2HB       ALA   7   6.231   4.545   6.783
   54   3HB   ALA   7          3HB       ALA   7   4.807   3.984   7.681
   55    HA   PRO   8           HA       PRO   8   3.238   7.585   4.317
   56   1HB   PRO   8          1HB       PRO   8   1.971   8.827   6.466
   57   2HB   PRO   8          2HB       PRO   8   1.147   7.829   5.230
   58   1HG   PRO   8          1HG       PRO   8   1.785   7.175   8.047
   59   2HG   PRO   8          2HG       PRO   8   0.549   6.476   6.955
   60   1HD   PRO   8          1HD       PRO   8   3.071   5.362   7.647
   61   2HD   PRO   8          2HD       PRO   8   1.955   4.783   6.373
   62    H    GLY   9           H        GLY   9   3.739   9.885   4.734
   63   1HA   GLY   9          1HA       GLY   9   6.386  10.254   5.881
   64   2HA   GLY   9          2HA       GLY   9   5.336  11.504   5.206
   65    H    GLU  10           H        GLU  10   6.647  12.349   7.324
   66    HA   GLU  10           HA       GLU  10   5.671  11.726   9.876
   67   1HB   GLU  10          1HB       GLU  10   7.577  13.516   8.810
   68   2HB   GLU  10          2HB       GLU  10   6.409  14.553   9.624
   69   1HG   GLU  10          1HG       GLU  10   6.619  12.904  11.630
   70   2HG   GLU  10          2HG       GLU  10   7.998  12.227  10.764
   71    H    ASP  11           H        ASP  11   4.071  13.558   7.480
   72    HA   ASP  11           HA       ASP  11   1.979  14.486   9.408
   73   1HB   ASP  11          1HB       ASP  11   3.355  16.113   7.859
   74   2HB   ASP  11          2HB       ASP  11   2.284  15.527   6.590
   75    H    ALA  12           H        ALA  12   2.544  11.944   7.382
   76    HA   ALA  12           HA       ALA  12   1.436  10.752   5.767
   77   1HB   ALA  12          1HB       ALA  12   0.768   9.954   8.051
   78   2HB   ALA  12          2HB       ALA  12  -0.723  10.889   7.899
   79   3HB   ALA  12          3HB       ALA  12  -0.401   9.559   6.767
   80    H    SER  13           H        SER  13   1.276  12.194   4.053
   81    HA   SER  13           HA       SER  13  -0.625  14.180   3.672
   82   1HB   SER  13          1HB       SER  13   0.272  14.389   1.555
   83   2HB   SER  13          2HB       SER  13   1.554  13.486   2.349
   84    HG   SER  13           HG       SER  13   1.171  11.738   1.185
   85    HA   PRO  14           HA       PRO  14  -4.428  12.254   2.633
   86   1HB   PRO  14          1HB       PRO  14  -5.414  13.594   0.410
   87   2HB   PRO  14          2HB       PRO  14  -5.434  14.212   2.088
   88   1HG   PRO  14          1HG       PRO  14  -3.621  14.966  -0.171
   89   2HG   PRO  14          2HG       PRO  14  -4.176  15.954   1.213
   90   1HD   PRO  14          1HD       PRO  14  -1.689  14.675   0.925
   91   2HD   PRO  14          2HD       PRO  14  -2.335  15.338   2.457
   92    H    GLU  15           H        GLU  15  -2.095  12.469  -0.006
   93    HA   GLU  15           HA       GLU  15  -3.260  10.289  -1.568
   94   1HB   GLU  15          1HB       GLU  15  -1.401  12.419  -1.967
   95   2HB   GLU  15          2HB       GLU  15  -0.459  10.948  -2.165
   96   1HG   GLU  15          1HG       GLU  15  -1.769  10.168  -3.954
   97   2HG   GLU  15          2HG       GLU  15  -3.158  11.167  -3.531
   98    H    GLU  16           H        GLU  16  -1.219  10.549   1.190
   99    HA   GLU  16           HA       GLU  16   0.252   8.108   0.896
  100   1HB   GLU  16          1HB       GLU  16   0.046  10.252   2.778
  101   2HB   GLU  16          2HB       GLU  16  -0.268   8.783   3.686
  102   1HG   GLU  16          1HG       GLU  16   2.093   9.429   3.674
  103   2HG   GLU  16          2HG       GLU  16   1.864   7.893   2.824
  104    H    LEU  17           H        LEU  17  -3.018   8.777   2.112
  105    HA   LEU  17           HA       LEU  17  -3.455   6.184   3.261
  106   1HB   LEU  17          1HB       LEU  17  -5.040   8.523   2.662
  107   2HB   LEU  17          2HB       LEU  17  -5.831   7.156   1.897
  108    HG   LEU  17           HG       LEU  17  -5.594   5.918   4.151
  109   1HD1  LEU  17          1HD1      LEU  17  -4.621   8.675   4.927
  110   2HD1  LEU  17          2HD1      LEU  17  -5.629   7.778   6.076
  111   3HD1  LEU  17          3HD1      LEU  17  -4.107   7.084   5.509
  112   1HD2  LEU  17          1HD2      LEU  17  -7.616   6.902   5.012
  113   2HD2  LEU  17          2HD2      LEU  17  -7.340   8.407   4.084
  114   3HD2  LEU  17          3HD2      LEU  17  -7.695   6.875   3.244
  115    H    SER  18           H        SER  18  -3.741   7.313  -0.091
  116    HA   SER  18           HA       SER  18  -4.624   4.804  -1.244
  117   1HB   SER  18          1HB       SER  18  -5.090   6.527  -2.655
  118   2HB   SER  18          2HB       SER  18  -3.665   7.464  -2.206
  119    HG   SER  18           HG       SER  18  -3.535   6.686  -4.306
  120    H    ARG  19           H        ARG  19  -1.422   6.192  -0.571
  121    HA   ARG  19           HA       ARG  19   0.127   4.124  -1.830
  122   1HB   ARG  19          1HB       ARG  19   1.888   5.315  -1.131
  123   2HB   ARG  19          2HB       ARG  19   0.716   6.508  -0.676
  124   1HG   ARG  19          1HG       ARG  19   1.799   6.487   1.264
  125   2HG   ARG  19          2HG       ARG  19   0.821   5.135   1.701
  126   1HD   ARG  19          1HD       ARG  19   2.559   3.867   2.017
  127   2HD   ARG  19          2HD       ARG  19   3.016   4.026   0.323
  128    HE   ARG  19           HE       ARG  19   4.097   5.514   2.643
  129   1HH1  ARG  19          2HH2      ARG  19   4.029   5.438  -0.836
  130   2HH1  ARG  19          1HH2      ARG  19   5.370   6.532  -0.986
  131   1HH2  ARG  19          2HH1      ARG  19   5.700   6.807   2.491
  132   2HH2  ARG  19          1HH1      ARG  19   6.190   7.508   0.938
  133    H    TYR  20           H        TYR  20  -1.332   4.361   1.374
  134    HA   TYR  20           HA       TYR  20  -0.045   2.045   2.444
  135   1HB   TYR  20          1HB       TYR  20  -1.148   3.923   3.742
  136   2HB   TYR  20          2HB       TYR  20  -2.708   3.261   3.277
  137    HD1  TYR  20           1HD      TYR  20   0.422   1.450   4.465
  138    HD2  TYR  20           2HD      TYR  20  -3.666   2.578   5.318
  139    HE1  TYR  20           1HE      TYR  20   0.447   0.012   6.455
  140    HE2  TYR  20           2HE      TYR  20  -3.616   1.141   7.357
  141    HH   TYR  20           HH       TYR  20  -0.888  -0.983   8.069
  142    H    TYR  21           H        TYR  21  -3.164   2.520   0.794
  143    HA   TYR  21           HA       TYR  21  -4.099  -0.198   0.967
  144   1HB   TYR  21          1HB       TYR  21  -4.731   2.226  -0.719
  145   2HB   TYR  21          2HB       TYR  21  -5.352   0.665  -1.211
  146    HD1  TYR  21           1HD      TYR  21  -7.484   0.122  -0.524
  147    HD2  TYR  21           2HD      TYR  21  -5.076   2.627   2.028
  148    HE1  TYR  21           1HE      TYR  21  -9.375   0.321   1.092
  149    HE2  TYR  21           2HE      TYR  21  -6.951   2.856   3.606
  150    HH   TYR  21           HH       TYR  21  -9.016   1.869   4.204
  151    H    ALA  22           H        ALA  22  -2.413   1.521  -1.730
  152    HA   ALA  22           HA       ALA  22  -2.184  -0.747  -3.430
  153   1HB   ALA  22          1HB       ALA  22  -1.813   1.457  -4.309
  154   2HB   ALA  22          2HB       ALA  22  -0.500   1.773  -3.149
  155   3HB   ALA  22          3HB       ALA  22  -0.275   0.571  -4.439
  156    H    SER  23           H        SER  23   0.197   0.544  -0.996
  157    HA   SER  23           HA       SER  23   2.024  -1.589  -1.403
  158   1HB   SER  23          1HB       SER  23   2.450   0.645  -0.174
  159   2HB   SER  23          2HB       SER  23   1.771  -0.175   1.257
  160    HG   SER  23           HG       SER  23   3.321  -1.949   0.527
  161    H    LEU  24           H        LEU  24  -0.682  -1.291   0.997
  162    HA   LEU  24           HA       LEU  24  -0.228  -3.661   2.442
  163   1HB   LEU  24          1HB       LEU  24  -2.692  -2.068   1.734
  164   2HB   LEU  24          2HB       LEU  24  -2.891  -3.606   2.529
  165    HG   LEU  24           HG       LEU  24  -1.080  -1.484   3.727
  166   1HD1  LEU  24          1HD1      LEU  24  -3.547  -0.747   3.322
  167   2HD1  LEU  24          2HD1      LEU  24  -3.961  -1.945   4.571
  168   3HD1  LEU  24          3HD1      LEU  24  -2.863  -0.609   4.928
  169   1HD2  LEU  24          1HD2      LEU  24  -1.869  -2.774   5.835
  170   2HD2  LEU  24          2HD2      LEU  24  -2.370  -4.041   4.708
  171   3HD2  LEU  24          3HD2      LEU  24  -0.667  -3.542   4.789
  172    H    ARG  25           H        ARG  25  -2.242  -3.220  -0.531
  173    HA   ARG  25           HA       ARG  25  -2.857  -6.011  -0.723
  174   1HB   ARG  25          1HB       ARG  25  -3.635  -3.722  -2.057
  175   2HB   ARG  25          2HB       ARG  25  -2.663  -4.501  -3.286
  176   1HG   ARG  25          1HG       ARG  25  -4.543  -6.384  -1.946
  177   2HG   ARG  25          2HG       ARG  25  -5.347  -4.968  -2.572
  178   1HD   ARG  25          1HD       ARG  25  -3.900  -5.547  -4.774
  179   2HD   ARG  25          2HD       ARG  25  -3.885  -7.155  -4.044
  180    HE   ARG  25           HE       ARG  25  -6.153  -7.374  -4.554
  181   1HH1  ARG  25          2HH2      ARG  25  -5.368  -3.976  -4.782
  182   2HH1  ARG  25          1HH2      ARG  25  -6.891  -3.541  -5.509
  183   1HH2  ARG  25          2HH1      ARG  25  -8.193  -6.752  -5.305
  184   2HH2  ARG  25          1HH1      ARG  25  -8.459  -5.099  -5.772
  185    H    HIS  26           H        HIS  26  -0.140  -4.119  -1.974
  186    HA   HIS  26           HA       HIS  26   1.081  -6.293  -3.382
  187   1HB   HIS  26          1HB       HIS  26   1.556  -3.593  -3.230
  188   2HB   HIS  26          2HB       HIS  26   2.914  -4.241  -2.312
  189    HD1  HIS  26           1HD      HIS  26   4.943  -4.597  -3.939
  190    HE1  HIS  26           1HE      HIS  26   2.870  -5.716  -7.487
  191    H    TYR  27           H        TYR  27   1.281  -5.202  -0.027
  192    HA   TYR  27           HA       TYR  27   3.197  -7.212   0.789
  193   1HB   TYR  27          1HB       TYR  27   1.771  -4.954   2.020
  194   2HB   TYR  27          2HB       TYR  27   1.782  -6.353   3.058
  195    HD1  TYR  27           1HD      TYR  27   3.631  -6.732   4.432
  196    HD2  TYR  27           2HD      TYR  27   4.125  -4.400   0.837
  197    HE1  TYR  27           1HE      TYR  27   6.058  -6.485   4.928
  198    HE2  TYR  27           2HE      TYR  27   6.555  -4.148   1.338
  199    HH   TYR  27           HH       TYR  27   8.282  -4.880   2.670
  200    H    LEU  28           H        LEU  28  -0.350  -7.137   0.659
  201    HA   LEU  28           HA       LEU  28  -0.929  -9.400   2.207
  202   1HB   LEU  28          1HB       LEU  28  -2.727  -8.079   1.611
  203   2HB   LEU  28          2HB       LEU  28  -2.214  -7.934  -0.055
  204    HG   LEU  28           HG       LEU  28  -2.946 -10.299  -0.482
  205   1HD1  LEU  28          1HD1      LEU  28  -4.804 -10.974   1.309
  206   2HD1  LEU  28          2HD1      LEU  28  -3.127 -11.465   1.482
  207   3HD1  LEU  28          3HD1      LEU  28  -3.733 -10.088   2.415
  208   1HD2  LEU  28          1HD2      LEU  28  -4.753  -8.002   0.206
  209   2HD2  LEU  28          2HD2      LEU  28  -4.333  -8.730  -1.358
  210   3HD2  LEU  28          3HD2      LEU  28  -5.457  -9.561  -0.282
  211    H    ASN  29           H        ASN  29  -0.149  -9.281  -1.281
  212    HA   ASN  29           HA       ASN  29  -0.241 -12.179  -1.537
  213   1HB   ASN  29          1HB       ASN  29   0.422 -11.896  -3.792
  214   2HB   ASN  29          2HB       ASN  29  -0.729 -10.605  -3.426
  215   1HD2  ASN  29          1HD2      ASN  29   0.087  -8.357  -3.275
  216   2HD2  ASN  29          2HD2      ASN  29   1.808  -8.140  -3.652
  217    H    LEU  30           H        LEU  30   2.059 -10.196  -0.100
  218    HA   LEU  30           HA       LEU  30   4.346 -12.041  -0.601
  219   1HB   LEU  30          1HB       LEU  30   4.949  -9.891  -1.147
  220   2HB   LEU  30          2HB       LEU  30   3.998  -9.141   0.084
  221    HG   LEU  30           HG       LEU  30   6.070 -10.698   1.412
  222   1HD1  LEU  30          1HD1      LEU  30   7.969  -9.129   0.563
  223   2HD1  LEU  30          2HD1      LEU  30   7.575 -10.589  -0.359
  224   3HD1  LEU  30          3HD1      LEU  30   7.007  -8.997  -0.912
  225   1HD2  LEU  30          1HD2      LEU  30   6.442  -8.723   2.578
  226   2HD2  LEU  30          2HD2      LEU  30   5.990  -7.683   1.207
  227   3HD2  LEU  30          3HD2      LEU  30   4.748  -8.560   2.108
  228    H    VAL  31           H        VAL  31   2.489 -10.550   2.062
  229    HA   VAL  31           HA       VAL  31   3.727 -12.062   4.191
  230    HB   VAL  31           HB       VAL  31   1.166 -10.413   4.047
  231   1HG1  VAL  31          1HG1      VAL  31   1.540 -10.234   6.601
  232   2HG1  VAL  31          2HG1      VAL  31   0.848 -11.740   5.995
  233   3HG1  VAL  31          3HG1      VAL  31   2.569 -11.670   6.435
  234   1HG2  VAL  31          1HG2      VAL  31   3.664  -9.536   5.512
  235   2HG2  VAL  31          2HG2      VAL  31   3.579  -9.322   3.766
  236   3HG2  VAL  31          3HG2      VAL  31   2.348  -8.580   4.784
  237    H    THR  32           H        THR  32   1.267 -12.823   1.876
  238    HA   THR  32           HA       THR  32   0.089 -15.020   3.420
  239    HB   THR  32           HB       THR  32  -1.119 -13.593   1.754
  240    HG1  THR  32           1HG      THR  32  -2.195 -15.521   0.886
  241   1HG2  THR  32          1HG2      THR  32  -1.062 -14.113  -0.582
  242   2HG2  THR  32          2HG2      THR  32   0.600 -13.760  -0.082
  243   3HG2  THR  32          3HG2      THR  32   0.097 -15.430  -0.353
  244    H    ARG  33           H        ARG  33   3.076 -14.927   2.651
  245    HA   ARG  33           HA       ARG  33   3.339 -17.797   2.301
  246   1HB   ARG  33          1HB       ARG  33   3.091 -16.398  -0.082
  247   2HB   ARG  33          2HB       ARG  33   4.828 -16.415   0.086
  248   1HG   ARG  33          1HG       ARG  33   3.018 -18.888   0.270
  249   2HG   ARG  33          2HG       ARG  33   3.811 -18.323  -1.201
  250   1HD   ARG  33          1HD       ARG  33   5.976 -18.457   0.419
  251   2HD   ARG  33          2HD       ARG  33   4.982 -19.712   1.187
  252    HE   ARG  33           HE       ARG  33   4.959 -20.174  -1.594
  253   1HH1  ARG  33          2HH2      ARG  33   7.396 -20.058   0.884
  254   2HH1  ARG  33          1HH2      ARG  33   8.527 -21.078   0.017
  255   1HH2  ARG  33          2HH1      ARG  33   6.448 -21.373  -2.762
  256   2HH2  ARG  33          1HH1      ARG  33   8.000 -21.731  -2.064
  257    H    GLN  34           H        GLN  34   4.123 -16.020   4.371
  258    HA   GLN  34           HA       GLN  34   7.052 -16.429   4.262
  259   1HB   GLN  34          1HB       GLN  34   5.990 -13.908   3.919
  260   2HB   GLN  34          2HB       GLN  34   6.160 -13.960   5.671
  261   1HG   GLN  34          1HG       GLN  34   8.145 -12.996   4.616
  262   2HG   GLN  34          2HG       GLN  34   8.577 -14.509   5.410
  263   1HE2  GLN  34          1HE2      GLN  34   9.596 -16.170   4.076
  264   2HE2  GLN  34          2HE2      GLN  34   9.646 -15.926   2.329
  265    H    ARG  35           H        ARG  35   8.119 -16.467   6.300
  266    HA   ARG  35           HA       ARG  35   6.817 -18.168   8.170
  267   1HB   ARG  35          1HB       ARG  35   8.865 -18.133   9.389
  268   2HB   ARG  35          2HB       ARG  35   9.263 -18.093   7.689
  269   1HG   ARG  35          1HG       ARG  35  10.719 -16.500   8.368
  270   2HG   ARG  35          2HG       ARG  35   9.364 -15.426   8.098
  271   1HD   ARG  35          1HD       ARG  35   9.467 -16.626  10.843
  272   2HD   ARG  35          2HD       ARG  35  10.887 -15.667  10.409
  273    HE   ARG  35           HE       ARG  35   8.301 -14.396   9.870
  274   1HH1  ARG  35          2HH2      ARG  35  10.660 -14.898  12.404
  275   2HH1  ARG  35          1HH2      ARG  35  10.274 -13.415  13.259
  276   1HH2  ARG  35          2HH1      ARG  35   7.903 -12.433  10.927
  277   2HH2  ARG  35          1HH1      ARG  35   8.775 -12.068  12.413
  278    H    TYR  36           H        TYR  36   5.964 -17.833  10.145
  279    HA   TYR  36           HA       TYR  36   5.793 -15.169  11.350
  280   1HB   TYR  36          1HB       TYR  36   3.910 -15.757   9.409
  281   2HB   TYR  36          2HB       TYR  36   3.093 -16.343  10.838
  282    HD1  TYR  36           1HD      TYR  36   4.691 -13.411   9.217
  283    HD2  TYR  36           2HD      TYR  36   2.204 -14.767  12.466
  284    HE1  TYR  36           1HE      TYR  36   4.021 -11.048   9.697
  285    HE2  TYR  36           2HE      TYR  36   1.509 -12.413  12.921
  286    HH   TYR  36           HH       TYR  36   1.523 -10.234  12.022
  287   1HN   NH2  37          NH1       NHE  37   4.233 -18.490  11.440
  288   2HN   NH2  37          NH2       NHE  37   4.574 -18.620  13.176
  Start of MODEL    7
    1   1H    TYR   1          1H        TYR   1  12.384 -11.318   4.360
    2   2H    TYR   1          2H        TYR   1  13.043 -12.647   5.041
    3   3H    TYR   1          3H        TYR   1  11.764 -12.803   4.018
    4    HA   TYR   1           HA       TYR   1  10.250 -12.344   5.544
    5   1HB   TYR   1          1HB       TYR   1  10.835 -13.176   7.704
    6   2HB   TYR   1          2HB       TYR   1  11.648 -14.128   6.480
    7    HD1  TYR   1           1HD      TYR   1  14.246 -13.455   5.966
    8    HD2  TYR   1           2HD      TYR   1  12.053 -12.415   9.558
    9    HE1  TYR   1           1HE      TYR   1  16.342 -12.848   7.087
   10    HE2  TYR   1           2HE      TYR   1  14.204 -11.901  10.689
   11    HH   TYR   1           HH       TYR   1  16.629 -11.086   9.783
   12    HA   PRO   2           HA       PRO   2  11.608  -8.003   6.475
   13   1HB   PRO   2          1HB       PRO   2   9.826  -6.637   4.867
   14   2HB   PRO   2          2HB       PRO   2  11.452  -7.174   4.353
   15   1HG   PRO   2          1HG       PRO   2   8.790  -8.333   3.645
   16   2HG   PRO   2          2HG       PRO   2  10.319  -8.343   2.723
   17   1HD   PRO   2          1HD       PRO   2   9.254 -10.447   4.320
   18   2HD   PRO   2          2HD       PRO   2  10.874 -10.366   3.564
   19    H    ALA   3           H        ALA   3  10.400  -6.408   7.692
   20    HA   ALA   3           HA       ALA   3   7.617  -7.031   8.457
   21   1HB   ALA   3          1HB       ALA   3   9.227  -8.437   9.868
   22   2HB   ALA   3          2HB       ALA   3   9.798  -6.911  10.577
   23   3HB   ALA   3          3HB       ALA   3   8.098  -7.399  10.754
   24    H    LYS   4           H        LYS   4   8.129  -4.905   7.008
   25    HA   LYS   4           HA       LYS   4   7.685  -2.585   8.698
   26   1HB   LYS   4          1HB       LYS   4   9.688  -1.321   7.694
   27   2HB   LYS   4          2HB       LYS   4   9.868  -2.317   9.108
   28   1HG   LYS   4          1HG       LYS   4  11.786  -2.620   7.762
   29   2HG   LYS   4          2HG       LYS   4  10.907  -4.130   7.783
   30   1HD   LYS   4          1HD       LYS   4  10.063  -3.796   5.569
   31   2HD   LYS   4          2HD       LYS   4  10.677  -2.120   5.515
   32   1HE   LYS   4          1HE       LYS   4  12.888  -2.764   5.266
   33   2HE   LYS   4          2HE       LYS   4  12.630  -4.353   5.997
   34   1HZ   LYS   4          1HZ       LYS   4  11.319  -4.946   4.020
   35   2HZ   LYS   4          2HZ       LYS   4  11.682  -3.507   3.327
   36   3HZ   LYS   4          3HZ       LYS   4  12.880  -4.595   3.645
   37    HA   PRO   5           HA       PRO   5   5.744  -2.394   4.561
   38   1HB   PRO   5          1HB       PRO   5   3.315  -1.322   5.431
   39   2HB   PRO   5          2HB       PRO   5   3.673  -3.047   5.179
   40   1HG   PRO   5          1HG       PRO   5   3.415  -1.571   7.735
   41   2HG   PRO   5          2HG       PRO   5   3.272  -3.323   7.416
   42   1HD   PRO   5          1HD       PRO   5   5.495  -1.935   8.550
   43   2HD   PRO   5          2HD       PRO   5   5.447  -3.650   8.054
   44    H    GLU   6           H        GLU   6   5.143  -0.603   3.243
   45    HA   GLU   6           HA       GLU   6   6.700   1.726   3.779
   46   1HB   GLU   6          1HB       GLU   6   5.622   0.613   1.525
   47   2HB   GLU   6          2HB       GLU   6   4.406   1.832   1.850
   48   1HG   GLU   6          1HG       GLU   6   5.797   3.118   0.575
   49   2HG   GLU   6          2HG       GLU   6   6.608   3.401   2.115
   50    H    ALA   7           H        ALA   7   5.999   3.876   4.291
   51    HA   ALA   7           HA       ALA   7   3.253   4.221   5.305
   52   1HB   ALA   7          1HB       ALA   7   5.489   4.961   7.182
   53   2HB   ALA   7          2HB       ALA   7   3.838   4.421   7.530
   54   3HB   ALA   7          3HB       ALA   7   5.057   3.244   7.063
   55    HA   PRO   8           HA       PRO   8   4.032   8.353   3.979
   56   1HB   PRO   8          1HB       PRO   8   2.897   9.930   5.974
   57   2HB   PRO   8          2HB       PRO   8   1.990   9.147   4.650
   58   1HG   PRO   8          1HG       PRO   8   2.090   8.439   7.513
   59   2HG   PRO   8          2HG       PRO   8   0.882   8.000   6.268
   60   1HD   PRO   8          1HD       PRO   8   2.998   6.402   7.311
   61   2HD   PRO   8          2HD       PRO   8   1.904   5.980   5.958
   62    H    GLY   9           H        GLY   9   5.464  10.035   4.141
   63   1HA   GLY   9          1HA       GLY   9   7.512   9.900   6.304
   64   2HA   GLY   9          2HA       GLY   9   7.699  10.653   4.723
   65    H    GLU  10           H        GLU  10   8.514  12.547   5.900
   66    HA   GLU  10           HA       GLU  10   6.952  14.159   7.615
   67   1HB   GLU  10          1HB       GLU  10   9.358  14.525   5.852
   68   2HB   GLU  10          2HB       GLU  10   8.441  15.981   6.180
   69   1HG   GLU  10          1HG       GLU  10   9.873  16.071   7.934
   70   2HG   GLU  10          2HG       GLU  10   8.541  15.229   8.701
   71    H    ASP  11           H        ASP  11   6.343  13.488   4.342
   72    HA   ASP  11           HA       ASP  11   4.337  15.680   4.185
   73   1HB   ASP  11          1HB       ASP  11   6.455  15.883   2.651
   74   2HB   ASP  11          2HB       ASP  11   5.695  14.624   1.694
   75    H    ALA  12           H        ALA  12   3.063  13.992   5.298
   76    HA   ALA  12           HA       ALA  12   2.251  11.623   3.831
   77   1HB   ALA  12          1HB       ALA  12   0.798  12.938   6.162
   78   2HB   ALA  12          2HB       ALA  12   0.782  11.235   5.659
   79   3HB   ALA  12          3HB       ALA  12   2.248  11.950   6.376
   80    H    SER  13           H        SER  13   2.020  13.174   1.901
   81    HA   SER  13           HA       SER  13  -0.192  14.876   1.560
   82   1HB   SER  13          1HB       SER  13   0.514  15.051  -0.609
   83   2HB   SER  13          2HB       SER  13   1.943  14.277   0.052
   84    HG   SER  13           HG       SER  13   1.473  12.488  -0.992
   85    HA   PRO  14           HA       PRO  14  -3.745  12.307   0.989
   86   1HB   PRO  14          1HB       PRO  14  -4.998  13.156  -1.329
   87   2HB   PRO  14          2HB       PRO  14  -5.056  14.005   0.240
   88   1HG   PRO  14          1HG       PRO  14  -3.471  14.692  -2.196
   89   2HG   PRO  14          2HG       PRO  14  -4.103  15.767  -0.914
   90   1HD   PRO  14          1HD       PRO  14  -1.474  14.793  -1.208
   91   2HD   PRO  14          2HD       PRO  14  -2.123  15.612   0.249
   92    H    GLU  15           H        GLU  15  -1.364  12.354  -1.581
   93    HA   GLU  15           HA       GLU  15  -2.372   9.975  -2.924
   94   1HB   GLU  15          1HB       GLU  15  -0.531  12.041  -3.505
   95   2HB   GLU  15          2HB       GLU  15   0.487  10.623  -3.318
   96   1HG   GLU  15          1HG       GLU  15  -0.392   9.578  -5.189
   97   2HG   GLU  15          2HG       GLU  15  -2.004  10.250  -4.962
   98    H    GLU  16           H        GLU  16  -0.496  10.590  -0.057
   99    HA   GLU  16           HA       GLU  16   0.932   8.073  -0.050
  100   1HB   GLU  16          1HB       GLU  16   1.033  10.488   1.406
  101   2HB   GLU  16          2HB       GLU  16   0.452   9.314   2.583
  102   1HG   GLU  16          1HG       GLU  16   2.874   9.562   2.613
  103   2HG   GLU  16          2HG       GLU  16   2.427   7.915   2.183
  104    H    LEU  17           H        LEU  17  -2.252   9.107   1.130
  105    HA   LEU  17           HA       LEU  17  -2.895   6.721   2.593
  106   1HB   LEU  17          1HB       LEU  17  -4.403   8.894   1.176
  107   2HB   LEU  17          2HB       LEU  17  -5.290   7.412   1.489
  108    HG   LEU  17           HG       LEU  17  -3.681   8.630   3.751
  109   1HD1  LEU  17          1HD1      LEU  17  -5.047  10.474   2.713
  110   2HD1  LEU  17          2HD1      LEU  17  -6.505   9.528   3.099
  111   3HD1  LEU  17          3HD1      LEU  17  -5.431  10.096   4.403
  112   1HD2  LEU  17          1HD2      LEU  17  -6.236   6.976   3.527
  113   2HD2  LEU  17          2HD2      LEU  17  -4.671   6.474   4.204
  114   3HD2  LEU  17          3HD2      LEU  17  -5.659   7.681   5.046
  115    H    SER  18           H        SER  18  -3.221   7.426  -0.935
  116    HA   SER  18           HA       SER  18  -4.209   4.881  -1.664
  117   1HB   SER  18          1HB       SER  18  -2.399   6.585  -3.385
  118   2HB   SER  18          2HB       SER  18  -3.695   5.480  -3.890
  119    HG   SER  18           HG       SER  18  -4.088   7.915  -3.724
  120    H    ARG  19           H        ARG  19  -0.929   5.936  -0.936
  121    HA   ARG  19           HA       ARG  19   0.441   3.616  -1.995
  122   1HB   ARG  19          1HB       ARG  19   2.309   4.702  -1.398
  123   2HB   ARG  19          2HB       ARG  19   1.257   6.055  -1.133
  124   1HG   ARG  19          1HG       ARG  19   2.261   6.192   0.847
  125   2HG   ARG  19          2HG       ARG  19   1.193   4.962   1.408
  126   1HD   ARG  19          1HD       ARG  19   2.799   3.546   1.826
  127   2HD   ARG  19          2HD       ARG  19   3.469   3.671   0.196
  128    HE   ARG  19           HE       ARG  19   4.409   5.072   2.593
  129   1HH1  ARG  19          2HH2      ARG  19   4.201   5.529  -0.835
  130   2HH1  ARG  19          1HH2      ARG  19   5.497   6.655  -0.846
  131   1HH2  ARG  19          2HH1      ARG  19   6.087   6.392   2.531
  132   2HH2  ARG  19          1HH1      ARG  19   6.779   6.931   1.005
  133    H    TYR  20           H        TYR  20  -1.114   4.346   1.066
  134    HA   TYR  20           HA       TYR  20  -0.002   2.145   2.550
  135   1HB   TYR  20          1HB       TYR  20  -0.943   4.212   3.564
  136   2HB   TYR  20          2HB       TYR  20  -2.540   3.775   2.989
  137    HD1  TYR  20           1HD      TYR  20  -4.000   2.624   4.408
  138    HD2  TYR  20           2HD      TYR  20   0.260   2.380   5.083
  139    HE1  TYR  20           1HE      TYR  20  -4.406   1.360   6.494
  140    HE2  TYR  20           2HE      TYR  20  -0.156   1.100   7.181
  141    HH   TYR  20           HH       TYR  20  -3.453   0.254   8.253
  142    H    TYR  21           H        TYR  21  -3.145   2.663   0.944
  143    HA   TYR  21           HA       TYR  21  -4.167   0.011   1.309
  144   1HB   TYR  21          1HB       TYR  21  -4.782   2.238  -0.643
  145   2HB   TYR  21          2HB       TYR  21  -5.595   0.689  -0.736
  146    HD1  TYR  21           1HD      TYR  21  -5.364   3.837   1.109
  147    HD2  TYR  21           2HD      TYR  21  -7.057  -0.115   1.109
  148    HE1  TYR  21           1HE      TYR  21  -6.971   4.557   2.836
  149    HE2  TYR  21           2HE      TYR  21  -8.731   0.623   2.827
  150    HH   TYR  21           HH       TYR  21  -8.722   3.916   4.186
  151    H    ALA  22           H        ALA  22  -2.372   1.458  -1.496
  152    HA   ALA  22           HA       ALA  22  -2.398  -0.931  -3.032
  153   1HB   ALA  22          1HB       ALA  22  -1.778   1.414  -3.796
  154   2HB   ALA  22          2HB       ALA  22  -0.194   1.164  -3.029
  155   3HB   ALA  22          3HB       ALA  22  -0.721   0.115  -4.364
  156    H    SER  23           H        SER  23   0.021   0.263  -0.614
  157    HA   SER  23           HA       SER  23   1.734  -1.984  -0.847
  158   1HB   SER  23          1HB       SER  23   2.229   0.261   0.346
  159   2HB   SER  23          2HB       SER  23   1.412  -0.466   1.750
  160    HG   SER  23           HG       SER  23   3.505  -1.755   0.325
  161    H    LEU  24           H        LEU  24  -1.029  -1.450   1.455
  162    HA   LEU  24           HA       LEU  24  -0.792  -3.821   2.887
  163   1HB   LEU  24          1HB       LEU  24  -2.694  -3.143   3.810
  164   2HB   LEU  24          2HB       LEU  24  -2.701  -1.812   2.692
  165    HG   LEU  24           HG       LEU  24  -4.133  -3.211   1.128
  166   1HD1  LEU  24          1HD1      LEU  24  -3.619  -5.279   3.112
  167   2HD1  LEU  24          2HD1      LEU  24  -5.361  -4.962   3.010
  168   3HD1  LEU  24          3HD1      LEU  24  -4.451  -5.391   1.554
  169   1HD2  LEU  24          1HD2      LEU  24  -6.176  -2.794   2.299
  170   2HD2  LEU  24          2HD2      LEU  24  -5.314  -2.662   3.854
  171   3HD2  LEU  24          3HD2      LEU  24  -5.054  -1.458   2.579
  172    H    ARG  25           H        ARG  25  -2.359  -3.422  -0.287
  173    HA   ARG  25           HA       ARG  25  -3.037  -6.212  -0.510
  174   1HB   ARG  25          1HB       ARG  25  -3.873  -4.013  -1.859
  175   2HB   ARG  25          2HB       ARG  25  -2.621  -4.548  -2.980
  176   1HG   ARG  25          1HG       ARG  25  -3.945  -6.937  -2.357
  177   2HG   ARG  25          2HG       ARG  25  -5.245  -5.762  -2.253
  178   1HD   ARG  25          1HD       ARG  25  -3.571  -5.453  -4.691
  179   2HD   ARG  25          2HD       ARG  25  -4.235  -7.067  -4.538
  180    HE   ARG  25           HE       ARG  25  -5.669  -4.670  -5.235
  181   1HH1  ARG  25          2HH2      ARG  25  -6.158  -7.683  -3.545
  182   2HH1  ARG  25          1HH2      ARG  25  -7.896  -7.663  -3.759
  183   1HH2  ARG  25          2HH1      ARG  25  -7.879  -4.727  -5.614
  184   2HH2  ARG  25          1HH1      ARG  25  -8.833  -6.027  -4.986
  185    H    HIS  26           H        HIS  26  -0.309  -4.285  -1.742
  186    HA   HIS  26           HA       HIS  26   0.983  -6.447  -3.089
  187   1HB   HIS  26          1HB       HIS  26   1.397  -3.740  -2.936
  188   2HB   HIS  26          2HB       HIS  26   2.695  -4.311  -1.901
  189    HD1  HIS  26           1HD      HIS  26   4.707  -3.870  -3.602
  190    HE1  HIS  26           1HE      HIS  26   3.312  -6.144  -6.915
  191    H    TYR  27           H        TYR  27   1.018  -5.458   0.284
  192    HA   TYR  27           HA       TYR  27   3.017  -7.275   1.239
  193   1HB   TYR  27          1HB       TYR  27   1.110  -5.338   2.384
  194   2HB   TYR  27          2HB       TYR  27   1.210  -6.792   3.329
  195    HD1  TYR  27           1HD      TYR  27   3.622  -4.555   1.483
  196    HD2  TYR  27           2HD      TYR  27   2.720  -6.760   5.077
  197    HE1  TYR  27           1HE      TYR  27   5.847  -3.959   2.414
  198    HE2  TYR  27           2HE      TYR  27   4.935  -6.136   6.017
  199    HH   TYR  27           HH       TYR  27   7.198  -4.009   4.324
  200    H    LEU  28           H        LEU  28  -0.590  -7.461   1.233
  201    HA   LEU  28           HA       LEU  28  -0.825 -10.090   2.259
  202   1HB   LEU  28          1HB       LEU  28  -2.802  -8.914   2.138
  203   2HB   LEU  28          2HB       LEU  28  -2.450  -8.257   0.551
  204    HG   LEU  28           HG       LEU  28  -2.938 -10.487  -0.470
  205   1HD1  LEU  28          1HD1      LEU  28  -4.592 -11.775   1.364
  206   2HD1  LEU  28          2HD1      LEU  28  -2.965 -12.262   0.900
  207   3HD1  LEU  28          3HD1      LEU  28  -3.202 -11.288   2.355
  208   1HD2  LEU  28          1HD2      LEU  28  -4.687  -8.445   0.387
  209   2HD2  LEU  28          2HD2      LEU  28  -4.886  -9.609  -0.928
  210   3HD2  LEU  28          3HD2      LEU  28  -5.542  -9.961   0.678
  211    H    ASN  29           H        ASN  29  -0.310  -9.092  -1.154
  212    HA   ASN  29           HA       ASN  29  -0.136 -11.874  -2.029
  213   1HB   ASN  29          1HB       ASN  29  -0.738  -9.477  -3.265
  214   2HB   ASN  29          2HB       ASN  29   0.915  -9.751  -3.830
  215   1HD2  ASN  29          1HD2      ASN  29  -1.084  -9.689  -5.695
  216   2HD2  ASN  29          2HD2      ASN  29  -1.476 -11.351  -6.173
  217    H    LEU  30           H        LEU  30   2.089 -10.021  -0.388
  218    HA   LEU  30           HA       LEU  30   4.498 -11.329  -1.572
  219   1HB   LEU  30          1HB       LEU  30   4.789  -9.021  -1.443
  220   2HB   LEU  30          2HB       LEU  30   3.923  -8.871   0.047
  221    HG   LEU  30           HG       LEU  30   6.275 -10.427   0.622
  222   1HD1  LEU  30          1HD1      LEU  30   6.852  -7.796  -0.762
  223   2HD1  LEU  30          2HD1      LEU  30   8.020  -8.855   0.060
  224   3HD1  LEU  30          3HD1      LEU  30   7.213  -9.408  -1.419
  225   1HD2  LEU  30          1HD2      LEU  30   6.502  -8.948   2.374
  226   2HD2  LEU  30          2HD2      LEU  30   6.032  -7.529   1.411
  227   3HD2  LEU  30          3HD2      LEU  30   4.808  -8.638   2.002
  228    H    VAL  31           H        VAL  31   2.728 -10.890   1.507
  229    HA   VAL  31           HA       VAL  31   4.390 -12.727   3.000
  230    HB   VAL  31           HB       VAL  31   1.629 -11.657   3.708
  231   1HG1  VAL  31          1HG1      VAL  31   2.614 -11.869   6.080
  232   2HG1  VAL  31          2HG1      VAL  31   2.194 -13.380   5.268
  233   3HG1  VAL  31          3HG1      VAL  31   3.894 -12.855   5.348
  234   1HG2  VAL  31          1HG2      VAL  31   2.465  -9.655   4.337
  235   2HG2  VAL  31          2HG2      VAL  31   3.973 -10.331   4.985
  236   3HG2  VAL  31          3HG2      VAL  31   3.823 -10.002   3.274
  237    H    THR  32           H        THR  32   1.905 -13.206   0.749
  238    HA   THR  32           HA       THR  32   1.551 -16.062   1.539
  239    HB   THR  32           HB       THR  32  -0.547 -14.178   0.420
  240    HG1  THR  32           1HG      THR  32  -1.381 -14.366   2.436
  241   1HG2  THR  32          1HG2      THR  32  -1.315 -16.256  -0.379
  242   2HG2  THR  32          2HG2      THR  32  -0.651 -17.147   1.012
  243   3HG2  THR  32          3HG2      THR  32  -2.097 -16.125   1.182
  244    H    ARG  33           H        ARG  33   3.614 -15.043  -0.219
  245    HA   ARG  33           HA       ARG  33   3.153 -16.934  -2.395
  246   1HB   ARG  33          1HB       ARG  33   2.169 -14.447  -2.910
  247   2HB   ARG  33          2HB       ARG  33   3.792 -14.218  -3.505
  248   1HG   ARG  33          1HG       ARG  33   2.490 -16.773  -4.416
  249   2HG   ARG  33          2HG       ARG  33   1.559 -15.342  -4.788
  250   1HD   ARG  33          1HD       ARG  33   2.791 -15.275  -6.658
  251   2HD   ARG  33          2HD       ARG  33   3.988 -14.470  -5.637
  252    HE   ARG  33           HE       ARG  33   4.112 -17.420  -5.722
  253   1HH1  ARG  33          2HH2      ARG  33   5.368 -14.471  -7.107
  254   2HH1  ARG  33          1HH2      ARG  33   6.791 -15.205  -7.781
  255   1HH2  ARG  33          2HH1      ARG  33   5.905 -18.380  -6.562
  256   2HH2  ARG  33          1HH1      ARG  33   7.105 -17.439  -7.396
  257    H    GLN  34           H        GLN  34   5.063 -16.730  -0.305
  258    HA   GLN  34           HA       GLN  34   7.579 -16.531  -1.863
  259   1HB   GLN  34          1HB       GLN  34   6.868 -14.727   0.158
  260   2HB   GLN  34          2HB       GLN  34   7.815 -15.922   1.027
  261   1HG   GLN  34          1HG       GLN  34   9.376 -14.302   0.311
  262   2HG   GLN  34          2HG       GLN  34   9.609 -15.633  -0.820
  263   1HE2  GLN  34          1HE2      GLN  34   9.709 -14.946  -3.029
  264   2HE2  GLN  34          2HE2      GLN  34   8.947 -13.428  -3.503
  265    H    ARG  35           H        ARG  35   9.367 -17.687  -0.766
  266    HA   ARG  35           HA       ARG  35   8.454 -20.307   0.320
  267   1HB   ARG  35          1HB       ARG  35  10.397 -21.292  -0.698
  268   2HB   ARG  35          2HB       ARG  35   9.492 -20.402  -1.911
  269   1HG   ARG  35          1HG       ARG  35  11.427 -19.424  -2.500
  270   2HG   ARG  35          2HG       ARG  35  11.327 -18.467  -1.043
  271   1HD   ARG  35          1HD       ARG  35  13.465 -19.405  -0.963
  272   2HD   ARG  35          2HD       ARG  35  12.540 -20.421   0.143
  273    HE   ARG  35           HE       ARG  35  12.268 -21.728  -2.256
  274   1HH1  ARG  35          2HH2      ARG  35  15.069 -20.752  -0.471
  275   2HH1  ARG  35          1HH2      ARG  35  16.133 -21.915  -1.223
  276   1HH2  ARG  35          2HH1      ARG  35  13.598 -23.246  -3.208
  277   2HH2  ARG  35          1HH1      ARG  35  15.274 -23.314  -2.744
  278    H    TYR  36           H        TYR  36   9.308 -21.045   2.220
  279    HA   TYR  36           HA       TYR  36  11.543 -19.604   3.493
  280   1HB   TYR  36          1HB       TYR  36   9.321 -18.504   4.089
  281   2HB   TYR  36          2HB       TYR  36   8.874 -19.990   4.901
  282    HD1  TYR  36           1HD      TYR  36  10.206 -16.795   5.372
  283    HD2  TYR  36           2HD      TYR  36  10.778 -20.870   6.667
  284    HE1  TYR  36           1HE      TYR  36  11.342 -16.006   7.472
  285    HE2  TYR  36           2HE      TYR  36  11.967 -20.070   8.689
  286    HH   TYR  36           HH       TYR  36  12.333 -18.159  10.036
  287   1HN   NH2  37          NH1       NHE  37  12.949 -21.181   4.277
  288   2HN   NH2  37          NH2       NHE  37  12.360 -22.797   4.721
  Start of MODEL    8
    1   1H    TYR   1          1H        TYR   1  16.611  -0.950   9.663
    2   2H    TYR   1          2H        TYR   1  15.319   0.025   9.360
    3   3H    TYR   1          3H        TYR   1  15.261  -1.063  10.597
    4    HA   TYR   1           HA       TYR   1  14.407  -1.423   8.002
    5   1HB   TYR   1          1HB       TYR   1  16.981  -2.884   8.675
    6   2HB   TYR   1          2HB       TYR   1  15.831  -3.498   7.485
    7    HD1  TYR   1           1HD      TYR   1  15.408  -2.402   5.370
    8    HD2  TYR   1           2HD      TYR   1  18.372  -0.870   8.128
    9    HE1  TYR   1           1HE      TYR   1  16.395  -1.010   3.557
   10    HE2  TYR   1           2HE      TYR   1  19.330   0.520   6.323
   11    HH   TYR   1           HH       TYR   1  19.371   0.833   3.954
   12    HA   PRO   2           HA       PRO   2  12.721  -4.180  11.345
   13   1HB   PRO   2          1HB       PRO   2  10.312  -2.975  11.870
   14   2HB   PRO   2          2HB       PRO   2  11.831  -2.584  12.714
   15   1HG   PRO   2          1HG       PRO   2  10.426  -1.030  10.597
   16   2HG   PRO   2          2HG       PRO   2  11.450  -0.447  11.928
   17   1HD   PRO   2          1HD       PRO   2  12.188  -0.831   9.196
   18   2HD   PRO   2          2HD       PRO   2  13.274  -0.467  10.577
   19    H    ALA   3           H        ALA   3  10.992  -5.696  11.126
   20    HA   ALA   3           HA       ALA   3  10.363  -6.318   8.364
   21   1HB   ALA   3          1HB       ALA   3   9.551  -7.792  10.904
   22   2HB   ALA   3          2HB       ALA   3   9.632  -8.430   9.248
   23   3HB   ALA   3          3HB       ALA   3  11.121  -7.984  10.093
   24    H    LYS   4           H        LYS   4   9.075  -4.282   8.124
   25    HA   LYS   4           HA       LYS   4   6.211  -4.894   8.352
   26   1HB   LYS   4          1HB       LYS   4   5.766  -2.612   9.454
   27   2HB   LYS   4          2HB       LYS   4   6.396  -3.901  10.454
   28   1HG   LYS   4          1HG       LYS   4   7.456  -1.904  11.101
   29   2HG   LYS   4          2HG       LYS   4   8.672  -2.892  10.325
   30   1HD   LYS   4          1HD       LYS   4   9.090  -1.361   8.732
   31   2HD   LYS   4          2HD       LYS   4   7.385  -1.100   8.378
   32   1HE   LYS   4          1HE       LYS   4   7.122   0.656   9.746
   33   2HE   LYS   4          2HE       LYS   4   8.215   0.032  10.978
   34   1HZ   LYS   4          1HZ       LYS   4   9.902   1.144  10.115
   35   2HZ   LYS   4          2HZ       LYS   4   9.559   0.718   8.558
   36   3HZ   LYS   4          3HZ       LYS   4   8.803   2.010   9.245
   37    HA   PRO   5           HA       PRO   5   6.195  -2.577   4.576
   38   1HB   PRO   5          1HB       PRO   5   3.640  -1.551   4.503
   39   2HB   PRO   5          2HB       PRO   5   4.055  -3.225   4.148
   40   1HG   PRO   5          1HG       PRO   5   2.747  -2.150   6.583
   41   2HG   PRO   5          2HG       PRO   5   2.670  -3.782   5.873
   42   1HD   PRO   5          1HD       PRO   5   4.222  -2.921   8.065
   43   2HD   PRO   5          2HD       PRO   5   4.335  -4.501   7.240
   44    H    GLU   6           H        GLU   6   6.383  -0.506   3.656
   45    HA   GLU   6           HA       GLU   6   7.400   1.503   5.348
   46   1HB   GLU   6          1HB       GLU   6   7.695   1.068   2.770
   47   2HB   GLU   6          2HB       GLU   6   6.291   2.133   2.603
   48   1HG   GLU   6          1HG       GLU   6   7.469   3.913   3.850
   49   2HG   GLU   6          2HG       GLU   6   8.846   2.841   4.117
   50    H    ALA   7           H        ALA   7   6.584   3.579   5.957
   51    HA   ALA   7           HA       ALA   7   3.797   4.257   5.505
   52   1HB   ALA   7          1HB       ALA   7   3.698   2.517   7.337
   53   2HB   ALA   7          2HB       ALA   7   4.601   3.633   8.377
   54   3HB   ALA   7          3HB       ALA   7   3.001   4.090   7.745
   55    HA   PRO   8           HA       PRO   8   6.548   7.868   6.213
   56   1HB   PRO   8          1HB       PRO   8   5.344   9.563   4.390
   57   2HB   PRO   8          2HB       PRO   8   6.655   8.415   4.000
   58   1HG   PRO   8          1HG       PRO   8   3.733   8.203   3.394
   59   2HG   PRO   8          2HG       PRO   8   5.128   7.509   2.519
   60   1HD   PRO   8          1HD       PRO   8   3.408   6.178   4.357
   61   2HD   PRO   8          2HD       PRO   8   4.949   5.548   3.698
   62    H    GLY   9           H        GLY   9   6.047   9.989   7.098
   63   1HA   GLY   9          1HA       GLY   9   3.337  10.712   7.802
   64   2HA   GLY   9          2HA       GLY   9   4.308  10.134   9.181
   65    H    GLU  10           H        GLU  10   3.325  12.784   8.809
   66    HA   GLU  10           HA       GLU  10   3.946  14.917   9.231
   67   1HB   GLU  10          1HB       GLU  10   6.131  13.612  10.195
   68   2HB   GLU  10          2HB       GLU  10   6.884  14.550   8.905
   69   1HG   GLU  10          1HG       GLU  10   5.360  16.490  10.083
   70   2HG   GLU  10          2HG       GLU  10   5.563  15.407  11.458
   71    H    ASP  11           H        ASP  11   5.594  13.324   6.600
   72    HA   ASP  11           HA       ASP  11   5.173  15.586   4.698
   73   1HB   ASP  11          1HB       ASP  11   7.665  14.157   5.506
   74   2HB   ASP  11          2HB       ASP  11   7.438  14.291   3.775
   75    H    ALA  12           H        ALA  12   3.203  14.467   4.127
   76    HA   ALA  12           HA       ALA  12   3.419  12.967   1.733
   77   1HB   ALA  12          1HB       ALA  12   3.872  10.955   2.854
   78   2HB   ALA  12          2HB       ALA  12   2.835  11.363   4.243
   79   3HB   ALA  12          3HB       ALA  12   2.123  10.909   2.689
   80    H    SER  13           H        SER  13   1.746  13.792   0.616
   81    HA   SER  13           HA       SER  13  -0.472  15.145   1.823
   82   1HB   SER  13          1HB       SER  13  -0.951  15.823  -0.289
   83   2HB   SER  13          2HB       SER  13   0.677  15.248  -0.618
   84    HG   SER  13           HG       SER  13  -0.860  14.449  -2.114
   85    HA   PRO  14           HA       PRO  14  -3.461  11.967   2.416
   86   1HB   PRO  14          1HB       PRO  14  -5.810  12.824   1.226
   87   2HB   PRO  14          2HB       PRO  14  -5.165  13.432   2.773
   88   1HG   PRO  14          1HG       PRO  14  -5.128  14.734   0.083
   89   2HG   PRO  14          2HG       PRO  14  -5.165  15.486   1.709
   90   1HD   PRO  14          1HD       PRO  14  -2.938  15.160   0.031
   91   2HD   PRO  14          2HD       PRO  14  -2.878  15.603   1.757
   92    H    GLU  15           H        GLU  15  -2.545  12.746  -0.834
   93    HA   GLU  15           HA       GLU  15  -3.931  10.532  -2.131
   94   1HB   GLU  15          1HB       GLU  15  -2.483  12.820  -2.991
   95   2HB   GLU  15          2HB       GLU  15  -1.467  11.451  -3.437
   96   1HG   GLU  15          1HG       GLU  15  -3.711  10.441  -4.387
   97   2HG   GLU  15          2HG       GLU  15  -4.295  12.105  -4.286
   98    H    GLU  16           H        GLU  16  -0.817  11.003  -0.462
   99    HA   GLU  16           HA       GLU  16   0.427   8.592  -1.417
  100   1HB   GLU  16          1HB       GLU  16   1.272  10.802   0.008
  101   2HB   GLU  16          2HB       GLU  16   1.132   9.592   1.281
  102   1HG   GLU  16          1HG       GLU  16   3.397   9.620   0.449
  103   2HG   GLU  16          2HG       GLU  16   2.654   8.086   0.033
  104    H    LEU  17           H        LEU  17  -1.736   9.307   1.318
  105    HA   LEU  17           HA       LEU  17  -1.490   6.792   2.654
  106   1HB   LEU  17          1HB       LEU  17  -2.960   9.172   2.943
  107   2HB   LEU  17          2HB       LEU  17  -4.211   7.958   2.693
  108    HG   LEU  17           HG       LEU  17  -1.953   7.611   4.717
  109   1HD1  LEU  17          1HD1      LEU  17  -2.797   9.478   5.640
  110   2HD1  LEU  17          2HD1      LEU  17  -4.380   9.331   4.858
  111   3HD1  LEU  17          3HD1      LEU  17  -3.997   8.378   6.306
  112   1HD2  LEU  17          1HD2      LEU  17  -4.271   5.981   3.924
  113   2HD2  LEU  17          2HD2      LEU  17  -2.837   5.565   4.875
  114   3HD2  LEU  17          3HD2      LEU  17  -4.232   6.306   5.663
  115    H    SER  18           H        SER  18  -3.471   7.745  -0.115
  116    HA   SER  18           HA       SER  18  -4.865   5.232  -0.450
  117   1HB   SER  18          1HB       SER  18  -6.021   6.608  -1.744
  118   2HB   SER  18          2HB       SER  18  -4.750   7.830  -1.738
  119    HG   SER  18           HG       SER  18  -4.224   7.265  -3.661
  120    H    ARG  19           H        ARG  19  -1.675   6.357  -1.420
  121    HA   ARG  19           HA       ARG  19  -1.052   4.199  -3.239
  122   1HB   ARG  19          1HB       ARG  19   0.849   5.371  -3.552
  123   2HB   ARG  19          2HB       ARG  19   0.096   6.603  -2.591
  124   1HG   ARG  19          1HG       ARG  19   2.009   6.526  -1.441
  125   2HG   ARG  19          2HG       ARG  19   1.308   5.244  -0.544
  126   1HD   ARG  19          1HD       ARG  19   2.780   3.758  -1.210
  127   2HD   ARG  19          2HD       ARG  19   2.539   4.154  -2.919
  128    HE   ARG  19           HE       ARG  19   3.986   6.243  -1.610
  129   1HH1  ARG  19          2HH2      ARG  19   4.348   3.180  -3.168
  130   2HH1  ARG  19          1HH2      ARG  19   6.067   3.340  -3.434
  131   1HH2  ARG  19          2HH1      ARG  19   6.190   6.460  -1.913
  132   2HH2  ARG  19          1HH1      ARG  19   7.098   5.237  -2.752
  133    H    TYR  20           H        TYR  20  -0.924   4.561   0.224
  134    HA   TYR  20           HA       TYR  20   0.810   2.311   0.729
  135   1HB   TYR  20          1HB       TYR  20   0.669   4.231   2.263
  136   2HB   TYR  20          2HB       TYR  20  -1.045   3.912   2.536
  137    HD1  TYR  20           1HD      TYR  20   1.979   1.648   2.510
  138    HD2  TYR  20           2HD      TYR  20  -1.368   3.223   4.750
  139    HE1  TYR  20           1HE      TYR  20   2.470   0.119   4.335
  140    HE2  TYR  20           2HE      TYR  20  -0.803   1.683   6.635
  141    HH   TYR  20           HH       TYR  20   1.715  -0.775   6.341
  142    H    TYR  21           H        TYR  21  -2.679   2.834   1.229
  143    HA   TYR  21           HA       TYR  21  -3.482   0.213   1.941
  144   1HB   TYR  21          1HB       TYR  21  -4.731   2.668   0.771
  145   2HB   TYR  21          2HB       TYR  21  -5.587   1.173   0.495
  146    HD1  TYR  21           1HD      TYR  21  -3.812   2.791   3.451
  147    HD2  TYR  21           2HD      TYR  21  -7.292   0.728   1.940
  148    HE1  TYR  21           1HE      TYR  21  -4.905   2.959   5.696
  149    HE2  TYR  21           2HE      TYR  21  -8.374   0.912   4.151
  150    HH   TYR  21           HH       TYR  21  -8.148   1.609   6.302
  151    H    ALA  22           H        ALA  22  -2.852   1.560  -1.298
  152    HA   ALA  22           HA       ALA  22  -3.674  -0.753  -2.799
  153   1HB   ALA  22          1HB       ALA  22  -2.166   1.777  -3.281
  154   2HB   ALA  22          2HB       ALA  22  -1.758   0.430  -4.351
  155   3HB   ALA  22          3HB       ALA  22  -3.438   0.997  -4.236
  156    H    SER  23           H        SER  23  -0.418   0.314  -1.651
  157    HA   SER  23           HA       SER  23   0.944  -2.027  -2.499
  158   1HB   SER  23          1HB       SER  23   1.737   0.323  -1.360
  159   2HB   SER  23          2HB       SER  23   1.924  -0.781   0.018
  160    HG   SER  23           HG       SER  23   3.772  -0.631  -1.421
  161    H    LEU  24           H        LEU  24  -0.786  -1.400   0.585
  162    HA   LEU  24           HA       LEU  24  -0.085  -3.670   2.027
  163   1HB   LEU  24          1HB       LEU  24  -2.638  -2.070   1.877
  164   2HB   LEU  24          2HB       LEU  24  -2.584  -3.505   2.886
  165    HG   LEU  24           HG       LEU  24  -0.581  -1.237   3.163
  166   1HD1  LEU  24          1HD1      LEU  24  -2.321  -0.040   3.972
  167   2HD1  LEU  24          2HD1      LEU  24  -3.401  -1.445   4.068
  168   3HD1  LEU  24          3HD1      LEU  24  -2.265  -1.096   5.379
  169   1HD2  LEU  24          1HD2      LEU  24  -0.261  -3.752   4.124
  170   2HD2  LEU  24          2HD2      LEU  24   0.244  -2.312   4.999
  171   3HD2  LEU  24          3HD2      LEU  24  -1.285  -3.114   5.406
  172    H    ARG  25           H        ARG  25  -2.717  -3.538  -0.388
  173    HA   ARG  25           HA       ARG  25  -3.483  -6.308  -0.200
  174   1HB   ARG  25          1HB       ARG  25  -3.940  -4.008  -2.008
  175   2HB   ARG  25          2HB       ARG  25  -3.873  -5.528  -2.899
  176   1HG   ARG  25          1HG       ARG  25  -5.732  -6.431  -1.864
  177   2HG   ARG  25          2HG       ARG  25  -5.527  -5.480  -0.382
  178   1HD   ARG  25          1HD       ARG  25  -6.139  -3.423  -1.624
  179   2HD   ARG  25          2HD       ARG  25  -6.489  -4.411  -3.062
  180    HE   ARG  25           HE       ARG  25  -7.937  -5.545  -0.952
  181   1HH1  ARG  25          2HH2      ARG  25  -7.928  -2.430  -2.519
  182   2HH1  ARG  25          1HH2      ARG  25  -9.593  -2.085  -2.175
  183   1HH2  ARG  25          2HH1      ARG  25 -10.055  -5.057  -0.396
  184   2HH2  ARG  25          1HH1      ARG  25 -10.754  -3.556  -0.917
  185    H    HIS  26           H        HIS  26  -0.957  -4.740  -2.115
  186    HA   HIS  26           HA       HIS  26  -0.161  -7.231  -3.390
  187   1HB   HIS  26          1HB       HIS  26   0.211  -4.614  -4.011
  188   2HB   HIS  26          2HB       HIS  26   1.746  -4.921  -3.205
  189    HD1  HIS  26           1HD      HIS  26   3.531  -5.585  -5.017
  190    HE1  HIS  26           1HE      HIS  26   1.067  -7.766  -7.728
  191    H    TYR  27           H        TYR  27   0.734  -5.527  -0.463
  192    HA   TYR  27           HA       TYR  27   3.011  -7.015   0.332
  193   1HB   TYR  27          1HB       TYR  27   1.570  -4.809   1.269
  194   2HB   TYR  27          2HB       TYR  27   1.392  -5.980   2.548
  195    HD1  TYR  27           1HD      TYR  27   3.648  -3.787   0.674
  196    HD2  TYR  27           2HD      TYR  27   3.431  -6.832   3.717
  197    HE1  TYR  27           1HE      TYR  27   5.971  -3.232   1.403
  198    HE2  TYR  27           2HE      TYR  27   5.740  -6.277   4.449
  199    HH   TYR  27           HH       TYR  27   7.465  -4.645   4.254
  200    H    LEU  28           H        LEU  28  -0.450  -7.487   0.984
  201    HA   LEU  28           HA       LEU  28  -0.385  -9.723   2.706
  202   1HB   LEU  28          1HB       LEU  28  -2.478  -8.793   2.403
  203   2HB   LEU  28          2HB       LEU  28  -2.278  -8.589   0.681
  204    HG   LEU  28           HG       LEU  28  -2.592 -11.075   0.366
  205   1HD1  LEU  28          1HD1      LEU  28  -3.972 -12.044   2.425
  206   2HD1  LEU  28          2HD1      LEU  28  -2.205 -12.188   2.359
  207   3HD1  LEU  28          3HD1      LEU  28  -2.958 -10.925   3.357
  208   1HD2  LEU  28          1HD2      LEU  28  -4.358  -9.388   0.003
  209   2HD2  LEU  28          2HD2      LEU  28  -4.964 -10.974   0.486
  210   3HD2  LEU  28          3HD2      LEU  28  -4.911  -9.646   1.679
  211    H    ASN  29           H        ASN  29  -0.405  -9.759  -0.895
  212    HA   ASN  29           HA       ASN  29   0.109 -12.605  -1.032
  213   1HB   ASN  29          1HB       ASN  29  -0.704 -10.587  -2.842
  214   2HB   ASN  29          2HB       ASN  29   0.874 -11.095  -3.436
  215   1HD2  ASN  29          1HD2      ASN  29  -2.343 -11.688  -3.853
  216   2HD2  ASN  29          2HD2      ASN  29  -2.214 -13.400  -4.248
  217    H    LEU  30           H        LEU  30   2.174 -10.046  -0.247
  218    HA   LEU  30           HA       LEU  30   4.618 -11.261  -1.334
  219   1HB   LEU  30          1HB       LEU  30   3.837  -8.665  -0.630
  220   2HB   LEU  30          2HB       LEU  30   4.859  -9.101   0.706
  221    HG   LEU  30           HG       LEU  30   6.266  -9.935  -1.641
  222   1HD1  LEU  30          1HD1      LEU  30   6.184  -8.230  -3.212
  223   2HD1  LEU  30          2HD1      LEU  30   4.476  -8.375  -2.777
  224   3HD1  LEU  30          3HD1      LEU  30   5.449  -7.063  -2.089
  225   1HD2  LEU  30          1HD2      LEU  30   7.694  -7.881  -1.068
  226   2HD2  LEU  30          2HD2      LEU  30   6.541  -7.584   0.248
  227   3HD2  LEU  30          3HD2      LEU  30   7.469  -9.098   0.204
  228    H    VAL  31           H        VAL  31   3.199 -10.574   1.882
  229    HA   VAL  31           HA       VAL  31   5.164 -12.135   3.336
  230    HB   VAL  31           HB       VAL  31   2.418 -11.221   4.235
  231   1HG1  VAL  31          1HG1      VAL  31   2.905 -12.327   6.136
  232   2HG1  VAL  31          2HG1      VAL  31   4.570 -12.661   5.628
  233   3HG1  VAL  31          3HG1      VAL  31   4.184 -11.149   6.438
  234   1HG2  VAL  31          1HG2      VAL  31   4.214  -9.390   3.396
  235   2HG2  VAL  31          2HG2      VAL  31   3.192  -9.152   4.805
  236   3HG2  VAL  31          3HG2      VAL  31   4.885  -9.662   4.991
  237    H    THR  32           H        THR  32   2.371 -13.045   1.519
  238    HA   THR  32           HA       THR  32   1.816 -15.567   2.793
  239    HB   THR  32           HB       THR  32   0.487 -14.081   1.028
  240    HG1  THR  32           1HG      THR  32  -0.647 -15.532   1.954
  241   1HG2  THR  32          1HG2      THR  32   0.341 -14.856  -1.145
  242   2HG2  THR  32          2HG2      THR  32   2.099 -14.860  -0.882
  243   3HG2  THR  32          3HG2      THR  32   1.182 -16.370  -0.793
  244    H    ARG  33           H        ARG  33   4.623 -14.734   1.345
  245    HA   ARG  33           HA       ARG  33   5.470 -17.528   0.888
  246   1HB   ARG  33          1HB       ARG  33   6.253 -17.119  -1.379
  247   2HB   ARG  33          2HB       ARG  33   4.509 -16.902  -1.288
  248   1HG   ARG  33          1HG       ARG  33   4.610 -14.599  -1.652
  249   2HG   ARG  33          2HG       ARG  33   6.166 -14.429  -0.865
  250   1HD   ARG  33          1HD       ARG  33   6.916 -14.083  -2.926
  251   2HD   ARG  33          2HD       ARG  33   7.048 -15.846  -2.944
  252    HE   ARG  33           HE       ARG  33   4.448 -15.107  -3.850
  253   1HH1  ARG  33          2HH2      ARG  33   7.763 -14.921  -4.978
  254   2HH1  ARG  33          1HH2      ARG  33   7.310 -14.802  -6.654
  255   1HH2  ARG  33          2HH1      ARG  33   3.910 -15.031  -6.027
  256   2HH2  ARG  33          1HH1      ARG  33   5.133 -14.787  -7.241
  257    H    GLN  34           H        GLN  34   6.215 -15.444   2.829
  258    HA   GLN  34           HA       GLN  34   9.106 -15.248   2.191
  259   1HB   GLN  34          1HB       GLN  34   7.493 -13.017   2.047
  260   2HB   GLN  34          2HB       GLN  34   7.929 -12.982   3.742
  261   1HG   GLN  34          1HG       GLN  34  10.362 -13.514   2.298
  262   2HG   GLN  34          2HG       GLN  34   9.489 -12.310   1.358
  263   1HE2  GLN  34          1HE2      GLN  34  10.148 -10.210   1.921
  264   2HE2  GLN  34          2HE2      GLN  34  10.699  -9.821   3.549
  265    H    ARG  35           H        ARG  35  10.350 -14.575   4.250
  266    HA   ARG  35           HA       ARG  35   9.385 -15.183   6.824
  267   1HB   ARG  35          1HB       ARG  35  10.270 -17.491   5.199
  268   2HB   ARG  35          2HB       ARG  35  11.233 -17.343   6.643
  269   1HG   ARG  35          1HG       ARG  35   8.209 -17.235   6.852
  270   2HG   ARG  35          2HG       ARG  35   9.038 -18.763   6.637
  271   1HD   ARG  35          1HD       ARG  35   8.798 -18.601   8.952
  272   2HD   ARG  35          2HD       ARG  35  10.464 -18.155   8.663
  273    HE   ARG  35           HE       ARG  35  10.007 -16.125   9.623
  274   1HH1  ARG  35          2HH2      ARG  35   6.925 -17.419   8.627
  275   2HH1  ARG  35          1HH2      ARG  35   5.997 -16.178   9.396
  276   1HH2  ARG  35          2HH1      ARG  35   8.775 -14.384  10.453
  277   2HH2  ARG  35          1HH1      ARG  35   7.054 -14.454  10.329
  278    H    TYR  36           H        TYR  36  10.896 -14.670   8.323
  279    HA   TYR  36           HA       TYR  36  13.314 -13.257   7.566
  280   1HB   TYR  36          1HB       TYR  36  12.082 -12.401   9.408
  281   2HB   TYR  36          2HB       TYR  36  11.924 -13.988  10.153
  282    HD1  TYR  36           1HD      TYR  36  13.040 -14.104  12.179
  283    HD2  TYR  36           2HD      TYR  36  14.879 -11.953   8.918
  284    HE1  TYR  36           1HE      TYR  36  15.033 -13.648  13.600
  285    HE2  TYR  36           2HE      TYR  36  16.895 -11.541  10.339
  286    HH   TYR  36           HH       TYR  36  16.900 -12.000  13.721
  287   1HN   NH2  37          NH1       NHE  37  15.334 -14.196   7.250
  288   2HN   NH2  37          NH2       NHE  37  15.749 -15.752   7.965
  Start of MODEL    9
    1   1H    TYR   1          1H        TYR   1  17.694  -9.314   5.851
    2   2H    TYR   1          2H        TYR   1  16.980 -10.604   6.573
    3   3H    TYR   1          3H        TYR   1  17.941 -10.821   5.263
    4    HA   TYR   1           HA       TYR   1  16.373  -9.391   3.963
    5   1HB   TYR   1          1HB       TYR   1  15.720 -12.176   4.913
    6   2HB   TYR   1          2HB       TYR   1  14.592 -11.321   3.874
    7    HD1  TYR   1           1HD      TYR   1  15.801 -10.000   1.814
    8    HD2  TYR   1           2HD      TYR   1  17.098 -13.679   3.679
    9    HE1  TYR   1           1HE      TYR   1  17.025 -10.628  -0.255
   10    HE2  TYR   1           2HE      TYR   1  18.311 -14.294   1.597
   11    HH   TYR   1           HH       TYR   1  19.221 -13.325  -0.424
   12    HA   PRO   2           HA       PRO   2  13.417  -7.796   7.096
   13   1HB   PRO   2          1HB       PRO   2  13.738  -5.110   6.570
   14   2HB   PRO   2          2HB       PRO   2  14.728  -6.027   7.740
   15   1HG   PRO   2          1HG       PRO   2  15.470  -5.071   5.000
   16   2HG   PRO   2          2HG       PRO   2  16.510  -5.356   6.431
   17   1HD   PRO   2          1HD       PRO   2  16.114  -7.095   4.199
   18   2HD   PRO   2          2HD       PRO   2  16.971  -7.468   5.730
   19    H    ALA   3           H        ALA   3  11.361  -6.966   6.708
   20    HA   ALA   3           HA       ALA   3  10.522  -5.824   4.201
   21   1HB   ALA   3          1HB       ALA   3  10.709  -8.405   3.778
   22   2HB   ALA   3          2HB       ALA   3   9.281  -8.532   4.812
   23   3HB   ALA   3          3HB       ALA   3   9.222  -7.572   3.318
   24    H    LYS   4           H        LYS   4   9.365  -4.200   5.178
   25    HA   LYS   4           HA       LYS   4   7.197  -4.988   7.020
   26   1HB   LYS   4          1HB       LYS   4   7.556  -3.074   8.458
   27   2HB   LYS   4          2HB       LYS   4   8.960  -4.095   8.466
   28   1HG   LYS   4          1HG       LYS   4   8.999  -1.813   6.479
   29   2HG   LYS   4          2HG       LYS   4   8.914  -1.363   8.156
   30   1HD   LYS   4          1HD       LYS   4  10.943  -3.409   7.941
   31   2HD   LYS   4          2HD       LYS   4  11.199  -2.268   6.621
   32   1HE   LYS   4          1HE       LYS   4  11.584  -0.461   8.038
   33   2HE   LYS   4          2HE       LYS   4  10.587  -1.121   9.336
   34   1HZ   LYS   4          1HZ       LYS   4  13.233  -2.205   8.604
   35   2HZ   LYS   4          2HZ       LYS   4  12.933  -1.198   9.873
   36   3HZ   LYS   4          3HZ       LYS   4  12.274  -2.705   9.847
   37    HA   PRO   5           HA       PRO   5   4.794  -2.437   4.330
   38   1HB   PRO   5          1HB       PRO   5   2.764  -1.645   5.974
   39   2HB   PRO   5          2HB       PRO   5   2.899  -3.261   5.245
   40   1HG   PRO   5          1HG       PRO   5   3.381  -2.420   8.066
   41   2HG   PRO   5          2HG       PRO   5   2.886  -4.016   7.424
   42   1HD   PRO   5          1HD       PRO   5   5.473  -3.212   8.223
   43   2HD   PRO   5          2HD       PRO   5   5.059  -4.706   7.332
   44    H    GLU   6           H        GLU   6   5.774  -0.625   3.670
   45    HA   GLU   6           HA       GLU   6   6.890   1.376   5.312
   46   1HB   GLU   6          1HB       GLU   6   7.170   0.815   2.723
   47   2HB   GLU   6          2HB       GLU   6   5.849   1.964   2.521
   48   1HG   GLU   6          1HG       GLU   6   8.014   3.071   2.233
   49   2HG   GLU   6          2HG       GLU   6   7.172   3.721   3.632
   50    H    ALA   7           H        ALA   7   6.234   3.507   5.826
   51    HA   ALA   7           HA       ALA   7   3.552   4.485   5.273
   52   1HB   ALA   7          1HB       ALA   7   4.009   2.859   7.709
   53   2HB   ALA   7          2HB       ALA   7   3.197   4.418   7.980
   54   3HB   ALA   7          3HB       ALA   7   2.529   3.246   6.831
   55    HA   PRO   8           HA       PRO   8   6.634   7.717   6.352
   56   1HB   PRO   8          1HB       PRO   8   5.747   9.607   4.529
   57   2HB   PRO   8          2HB       PRO   8   6.956   8.342   4.176
   58   1HG   PRO   8          1HG       PRO   8   4.090   8.462   3.358
   59   2HG   PRO   8          2HG       PRO   8   5.472   7.666   2.550
   60   1HD   PRO   8          1HD       PRO   8   3.489   6.457   4.192
   61   2HD   PRO   8          2HD       PRO   8   4.992   5.682   3.614
   62    H    GLY   9           H        GLY   9   6.277   9.854   7.284
   63   1HA   GLY   9          1HA       GLY   9   3.583  10.768   7.882
   64   2HA   GLY   9          2HA       GLY   9   4.476  10.127   9.284
   65    H    GLU  10           H        GLU  10   3.663  12.869   8.792
   66    HA   GLU  10           HA       GLU  10   4.413  14.970   9.199
   67   1HB   GLU  10          1HB       GLU  10   6.325  13.550  10.409
   68   2HB   GLU  10          2HB       GLU  10   7.336  14.261   9.169
   69   1HG   GLU  10          1HG       GLU  10   5.484  16.021  10.818
   70   2HG   GLU  10          2HG       GLU  10   6.897  15.330  11.591
   71    H    ASP  11           H        ASP  11   5.757  13.152   6.577
   72    HA   ASP  11           HA       ASP  11   5.466  15.472   4.760
   73   1HB   ASP  11          1HB       ASP  11   7.822  15.479   5.395
   74   2HB   ASP  11          2HB       ASP  11   7.974  13.772   4.974
   75    H    ALA  12           H        ALA  12   3.563  14.379   4.121
   76    HA   ALA  12           HA       ALA  12   3.812  12.848   1.771
   77   1HB   ALA  12          1HB       ALA  12   3.355  11.259   4.277
   78   2HB   ALA  12          2HB       ALA  12   2.371  10.840   2.863
   79   3HB   ALA  12          3HB       ALA  12   4.145  10.811   2.753
   80    H    SER  13           H        SER  13   2.195  13.771   0.597
   81    HA   SER  13           HA       SER  13  -0.043  15.097   1.630
   82   1HB   SER  13          1HB       SER  13  -0.533  14.149  -1.046
   83   2HB   SER  13          2HB       SER  13  -0.088  15.775  -0.505
   84    HG   SER  13           HG       SER  13   1.362  14.784  -2.056
   85    HA   PRO  14           HA       PRO  14  -3.058  11.984   2.298
   86   1HB   PRO  14          1HB       PRO  14  -5.383  12.923   1.117
   87   2HB   PRO  14          2HB       PRO  14  -4.698  13.525   2.647
   88   1HG   PRO  14          1HG       PRO  14  -4.618  14.783  -0.065
   89   2HG   PRO  14          2HG       PRO  14  -4.632  15.559   1.543
   90   1HD   PRO  14          1HD       PRO  14  -2.400  15.150  -0.115
   91   2HD   PRO  14          2HD       PRO  14  -2.338  15.578   1.610
   92    H    GLU  15           H        GLU  15  -2.273  12.759  -0.968
   93    HA   GLU  15           HA       GLU  15  -3.577  10.535  -2.272
   94   1HB   GLU  15          1HB       GLU  15  -2.088  12.812  -3.091
   95   2HB   GLU  15          2HB       GLU  15  -1.107  11.426  -3.578
   96   1HG   GLU  15          1HG       GLU  15  -3.151  10.425  -4.650
   97   2HG   GLU  15          2HG       GLU  15  -4.057  11.878  -4.225
   98    H    GLU  16           H        GLU  16  -0.393  10.982  -0.641
   99    HA   GLU  16           HA       GLU  16   0.729   8.522  -1.564
  100   1HB   GLU  16          1HB       GLU  16   1.716  10.702  -0.224
  101   2HB   GLU  16          2HB       GLU  16   1.554   9.554   1.096
  102   1HG   GLU  16          1HG       GLU  16   3.775   9.362   0.256
  103   2HG   GLU  16          2HG       GLU  16   2.910   7.893  -0.203
  104    H    LEU  17           H        LEU  17  -1.259   9.331   1.285
  105    HA   LEU  17           HA       LEU  17  -1.091   6.789   2.560
  106   1HB   LEU  17          1HB       LEU  17  -2.309   9.182   3.099
  107   2HB   LEU  17          2HB       LEU  17  -3.723   8.221   2.681
  108    HG   LEU  17           HG       LEU  17  -1.615   7.281   4.678
  109   1HD1  LEU  17          1HD1      LEU  17  -3.836   9.273   5.040
  110   2HD1  LEU  17          2HD1      LEU  17  -3.487   8.141   6.365
  111   3HD1  LEU  17          3HD1      LEU  17  -2.217   9.207   5.755
  112   1HD2  LEU  17          1HD2      LEU  17  -3.612   5.774   3.649
  113   2HD2  LEU  17          2HD2      LEU  17  -3.040   5.621   5.308
  114   3HD2  LEU  17          3HD2      LEU  17  -4.514   6.554   4.948
  115    H    SER  18           H        SER  18  -3.147   7.872  -0.128
  116    HA   SER  18           HA       SER  18  -4.669   5.416  -0.357
  117   1HB   SER  18          1HB       SER  18  -5.554   6.282  -2.331
  118   2HB   SER  18          2HB       SER  18  -5.249   7.710  -1.329
  119    HG   SER  18           HG       SER  18  -3.188   7.918  -2.565
  120    H    ARG  19           H        ARG  19  -1.452   6.304  -1.379
  121    HA   ARG  19           HA       ARG  19  -1.067   4.127  -3.278
  122   1HB   ARG  19          1HB       ARG  19   0.845   5.217  -3.756
  123   2HB   ARG  19          2HB       ARG  19   0.215   6.496  -2.771
  124   1HG   ARG  19          1HG       ARG  19   2.271   6.379  -1.877
  125   2HG   ARG  19          2HG       ARG  19   1.548   5.219  -0.795
  126   1HD   ARG  19          1HD       ARG  19   2.817   3.530  -1.489
  127   2HD   ARG  19          2HD       ARG  19   2.541   3.886  -3.191
  128    HE   ARG  19           HE       ARG  19   4.428   5.225  -3.276
  129   1HH1  ARG  19          2HH2      ARG  19   3.874   4.446   0.094
  130   2HH1  ARG  19          1HH2      ARG  19   5.411   5.103   0.604
  131   1HH2  ARG  19          2HH1      ARG  19   6.295   6.152  -2.562
  132   2HH2  ARG  19          1HH1      ARG  19   6.807   6.018  -0.906
  133    H    TYR  20           H        TYR  20  -0.773   4.545   0.177
  134    HA   TYR  20           HA       TYR  20   0.899   2.235   0.634
  135   1HB   TYR  20          1HB       TYR  20   0.898   4.074   2.231
  136   2HB   TYR  20          2HB       TYR  20  -0.835   3.896   2.487
  137    HD1  TYR  20           1HD      TYR  20   1.698   1.098   2.336
  138    HD2  TYR  20           2HD      TYR  20  -0.977   3.454   4.784
  139    HE1  TYR  20           1HE      TYR  20   1.998  -0.485   4.188
  140    HE2  TYR  20           2HE      TYR  20  -0.631   1.873   6.664
  141    HH   TYR  20           HH       TYR  20   0.405  -0.008   7.364
  142    H    TYR  21           H        TYR  21  -2.586   2.819   1.290
  143    HA   TYR  21           HA       TYR  21  -3.374   0.245   2.039
  144   1HB   TYR  21          1HB       TYR  21  -4.677   2.602   0.741
  145   2HB   TYR  21          2HB       TYR  21  -5.527   1.077   0.567
  146    HD1  TYR  21           1HD      TYR  21  -5.253   3.893   2.652
  147    HD2  TYR  21           2HD      TYR  21  -5.698  -0.400   2.785
  148    HE1  TYR  21           1HE      TYR  21  -6.444   4.078   4.836
  149    HE2  TYR  21           2HE      TYR  21  -6.849  -0.209   4.983
  150    HH   TYR  21           HH       TYR  21  -7.916   2.866   6.305
  151    H    ALA  22           H        ALA  22  -2.883   1.430  -1.279
  152    HA   ALA  22           HA       ALA  22  -3.695  -0.968  -2.664
  153   1HB   ALA  22          1HB       ALA  22  -2.248   0.101  -4.492
  154   2HB   ALA  22          2HB       ALA  22  -3.585   1.096  -3.873
  155   3HB   ALA  22          3HB       ALA  22  -1.918   1.415  -3.350
  156    H    SER  23           H        SER  23  -0.433   0.250  -1.677
  157    HA   SER  23           HA       SER  23   0.977  -2.079  -2.484
  158   1HB   SER  23          1HB       SER  23   1.724   0.363  -1.475
  159   2HB   SER  23          2HB       SER  23   2.058  -0.690  -0.090
  160    HG   SER  23           HG       SER  23   3.332  -1.980  -1.476
  161    H    LEU  24           H        LEU  24  -0.712  -1.381   0.579
  162    HA   LEU  24           HA       LEU  24   0.155  -3.546   2.130
  163   1HB   LEU  24          1HB       LEU  24  -2.050  -1.627   2.177
  164   2HB   LEU  24          2HB       LEU  24  -2.616  -3.189   2.741
  165    HG   LEU  24           HG       LEU  24  -0.178  -1.762   3.811
  166   1HD1  LEU  24          1HD1      LEU  24  -2.940  -2.054   5.082
  167   2HD1  LEU  24          2HD1      LEU  24  -1.552  -1.137   5.721
  168   3HD1  LEU  24          3HD1      LEU  24  -2.376  -0.593   4.249
  169   1HD2  LEU  24          1HD2      LEU  24  -1.621  -3.946   5.318
  170   2HD2  LEU  24          2HD2      LEU  24  -0.481  -4.411   4.057
  171   3HD2  LEU  24          3HD2      LEU  24   0.077  -3.413   5.415
  172    H    ARG  25           H        ARG  25  -2.729  -3.485  -0.016
  173    HA   ARG  25           HA       ARG  25  -3.368  -6.286   0.258
  174   1HB   ARG  25          1HB       ARG  25  -3.913  -4.180  -1.856
  175   2HB   ARG  25          2HB       ARG  25  -4.130  -5.878  -2.259
  176   1HG   ARG  25          1HG       ARG  25  -5.488  -5.831   0.115
  177   2HG   ARG  25          2HG       ARG  25  -5.706  -4.155  -0.396
  178   1HD   ARG  25          1HD       ARG  25  -6.199  -5.729  -2.738
  179   2HD   ARG  25          2HD       ARG  25  -6.870  -6.677  -1.425
  180    HE   ARG  25           HE       ARG  25  -8.538  -5.104  -1.134
  181   1HH1  ARG  25          2HH2      ARG  25  -6.152  -3.740  -3.304
  182   2HH1  ARG  25          1HH2      ARG  25  -7.140  -2.384  -3.758
  183   1HH2  ARG  25          2HH1      ARG  25  -9.809  -3.364  -1.752
  184   2HH2  ARG  25          1HH1      ARG  25  -9.187  -2.166  -2.846
  185    H    HIS  26           H        HIS  26  -1.051  -4.651  -1.889
  186    HA   HIS  26           HA       HIS  26  -0.325  -7.129  -3.195
  187   1HB   HIS  26          1HB       HIS  26   0.051  -4.522  -3.822
  188   2HB   HIS  26          2HB       HIS  26   1.631  -4.861  -3.106
  189    HD1  HIS  26           1HD      HIS  26   3.204  -5.258  -5.183
  190    HE1  HIS  26           1HE      HIS  26   0.697  -7.758  -7.547
  191    H    TYR  27           H        TYR  27   0.826  -5.483  -0.301
  192    HA   TYR  27           HA       TYR  27   3.091  -7.061   0.276
  193   1HB   TYR  27          1HB       TYR  27   1.858  -4.837   1.376
  194   2HB   TYR  27          2HB       TYR  27   1.631  -6.026   2.631
  195    HD1  TYR  27           1HD      TYR  27   4.057  -7.601   2.721
  196    HD2  TYR  27           2HD      TYR  27   3.600  -3.409   1.803
  197    HE1  TYR  27           1HE      TYR  27   6.460  -7.221   3.251
  198    HE2  TYR  27           2HE      TYR  27   5.990  -3.042   2.324
  199    HH   TYR  27           HH       TYR  27   7.759  -3.983   3.382
  200    H    LEU  28           H        LEU  28  -0.315  -7.468   1.157
  201    HA   LEU  28           HA       LEU  28  -0.180  -9.709   2.878
  202   1HB   LEU  28          1HB       LEU  28  -2.253  -8.665   2.705
  203   2HB   LEU  28          2HB       LEU  28  -2.204  -8.570   0.962
  204    HG   LEU  28           HG       LEU  28  -2.616 -11.057   0.831
  205   1HD1  LEU  28          1HD1      LEU  28  -2.415 -10.806   3.777
  206   2HD1  LEU  28          2HD1      LEU  28  -3.842 -11.699   3.216
  207   3HD1  LEU  28          3HD1      LEU  28  -2.231 -12.211   2.713
  208   1HD2  LEU  28          1HD2      LEU  28  -4.583  -9.084   1.963
  209   2HD2  LEU  28          2HD2      LEU  28  -4.407  -9.742   0.321
  210   3HD2  LEU  28          3HD2      LEU  28  -5.061 -10.763   1.603
  211    H    ASN  29           H        ASN  29  -0.547  -9.741  -0.706
  212    HA   ASN  29           HA       ASN  29  -0.024 -12.592  -0.858
  213   1HB   ASN  29          1HB       ASN  29  -0.545 -10.369  -2.803
  214   2HB   ASN  29          2HB       ASN  29   0.330 -11.770  -3.411
  215   1HD2  ASN  29          1HD2      ASN  29  -0.775 -13.676  -3.857
  216   2HD2  ASN  29          2HD2      ASN  29  -2.515 -13.769  -3.574
  217    H    LEU  30           H        LEU  30   2.118 -10.035  -0.310
  218    HA   LEU  30           HA       LEU  30   4.381 -11.264  -1.717
  219   1HB   LEU  30          1HB       LEU  30   3.745  -8.668  -0.876
  220   2HB   LEU  30          2HB       LEU  30   4.936  -9.135   0.293
  221    HG   LEU  30           HG       LEU  30   5.975  -9.962  -2.244
  222   1HD1  LEU  30          1HD1      LEU  30   5.753  -8.162  -3.734
  223   2HD1  LEU  30          2HD1      LEU  30   4.108  -8.371  -3.126
  224   3HD1  LEU  30          3HD1      LEU  30   5.113  -7.068  -2.487
  225   1HD2  LEU  30          1HD2      LEU  30   7.291  -9.123  -0.374
  226   2HD2  LEU  30          2HD2      LEU  30   7.625  -8.177  -1.842
  227   3HD2  LEU  30          3HD2      LEU  30   6.583  -7.504  -0.566
  228    H    VAL  31           H        VAL  31   3.469 -10.594   1.682
  229    HA   VAL  31           HA       VAL  31   5.533 -12.281   2.841
  230    HB   VAL  31           HB       VAL  31   3.034 -10.939   3.882
  231   1HG1  VAL  31          1HG1      VAL  31   4.821 -12.808   5.499
  232   2HG1  VAL  31          2HG1      VAL  31   3.681 -11.627   6.194
  233   3HG1  VAL  31          3HG1      VAL  31   3.065 -12.963   5.218
  234   1HG2  VAL  31          1HG2      VAL  31   4.682  -9.666   5.185
  235   2HG2  VAL  31          2HG2      VAL  31   5.992 -10.716   4.608
  236   3HG2  VAL  31          3HG2      VAL  31   5.148  -9.645   3.476
  237    H    THR  32           H        THR  32   2.493 -13.049   1.362
  238    HA   THR  32           HA       THR  32   2.191 -15.639   2.594
  239    HB   THR  32           HB       THR  32   0.526 -14.086   1.235
  240    HG1  THR  32           1HG      THR  32  -0.841 -15.740   1.451
  241   1HG2  THR  32          1HG2      THR  32   1.673 -14.795  -1.009
  242   2HG2  THR  32          2HG2      THR  32   0.803 -16.316  -0.774
  243   3HG2  THR  32          3HG2      THR  32  -0.096 -14.793  -0.887
  244    H    ARG  33           H        ARG  33   4.754 -14.761   0.855
  245    HA   ARG  33           HA       ARG  33   5.419 -17.518   0.162
  246   1HB   ARG  33          1HB       ARG  33   4.071 -16.390  -1.780
  247   2HB   ARG  33          2HB       ARG  33   5.565 -15.520  -2.121
  248   1HG   ARG  33          1HG       ARG  33   6.729 -17.558  -2.624
  249   2HG   ARG  33          2HG       ARG  33   5.512 -18.562  -1.809
  250   1HD   ARG  33          1HD       ARG  33   3.877 -18.165  -3.481
  251   2HD   ARG  33          2HD       ARG  33   4.837 -16.865  -4.225
  252    HE   ARG  33           HE       ARG  33   6.436 -19.163  -4.299
  253   1HH1  ARG  33          2HH2      ARG  33   3.387 -18.179  -5.676
  254   2HH1  ARG  33          1HH2      ARG  33   3.577 -19.127  -7.132
  255   1HH2  ARG  33          2HH1      ARG  33   6.682 -20.371  -6.189
  256   2HH2  ARG  33          1HH1      ARG  33   5.449 -20.350  -7.397
  257    H    GLN  34           H        GLN  34   6.509 -15.676   2.051
  258    HA   GLN  34           HA       GLN  34   9.277 -15.467   1.003
  259   1HB   GLN  34          1HB       GLN  34   7.703 -13.250   1.271
  260   2HB   GLN  34          2HB       GLN  34   8.367 -13.327   2.894
  261   1HG   GLN  34          1HG       GLN  34  10.067 -13.440   0.353
  262   2HG   GLN  34          2HG       GLN  34   9.611 -11.925   1.127
  263   1HE2  GLN  34          1HE2      GLN  34  12.227 -14.005   0.917
  264   2HE2  GLN  34          2HE2      GLN  34  12.851 -13.600   2.523
  265    H    ARG  35           H        ARG  35  10.871 -15.779   2.483
  266    HA   ARG  35           HA       ARG  35  11.894 -17.071   4.044
  267   1HB   ARG  35          1HB       ARG  35  11.475 -14.776   5.010
  268   2HB   ARG  35          2HB       ARG  35  10.156 -15.482   5.953
  269   1HG   ARG  35          1HG       ARG  35  11.682 -16.996   7.070
  270   2HG   ARG  35          2HG       ARG  35  13.015 -16.556   5.990
  271   1HD   ARG  35          1HD       ARG  35  13.172 -14.343   6.860
  272   2HD   ARG  35          2HD       ARG  35  11.638 -14.467   7.722
  273    HE   ARG  35           HE       ARG  35  14.232 -15.368   8.636
  274   1HH1  ARG  35          2HH2      ARG  35  10.827 -16.102   8.927
  275   2HH1  ARG  35          1HH2      ARG  35  10.992 -16.862  10.486
  276   1HH2  ARG  35          2HH1      ARG  35  14.433 -16.378  10.645
  277   2HH2  ARG  35          1HH1      ARG  35  13.016 -17.011  11.430
  278    H    TYR  36           H        TYR  36  11.015 -19.039   3.330
  279    HA   TYR  36           HA       TYR  36   8.731 -20.274   4.610
  280   1HB   TYR  36          1HB       TYR  36   9.424 -20.690   2.268
  281   2HB   TYR  36          2HB       TYR  36  10.906 -21.442   2.830
  282    HD1  TYR  36           1HD      TYR  36  10.820 -23.639   4.041
  283    HD2  TYR  36           2HD      TYR  36   7.299 -21.849   2.306
  284    HE1  TYR  36           1HE      TYR  36   9.647 -25.825   4.181
  285    HE2  TYR  36           2HE      TYR  36   6.129 -24.053   2.435
  286    HH   TYR  36           HH       TYR  36   7.726 -27.009   3.613
  287   1HN   NH2  37          NH1       NHE  37   9.063 -20.436   6.894
  288   2HN   NH2  37          NH2       NHE  37  10.430 -21.395   7.504
  Start of MODEL   10
    1   1H    TYR   1          1H        TYR   1  19.465  -0.724   8.784
    2   2H    TYR   1          2H        TYR   1  18.546   0.259   7.817
    3   3H    TYR   1          3H        TYR   1  17.899  -0.373   9.183
    4    HA   TYR   1           HA       TYR   1  18.574  -1.805   6.729
    5   1HB   TYR   1          1HB       TYR   1  18.243  -2.830   9.541
    6   2HB   TYR   1          2HB       TYR   1  17.543  -3.760   8.244
    7    HD1  TYR   1           1HD      TYR   1  18.837  -5.187   6.868
    8    HD2  TYR   1           2HD      TYR   1  20.809  -2.286   9.399
    9    HE1  TYR   1           1HE      TYR   1  21.043  -6.213   6.348
   10    HE2  TYR   1           2HE      TYR   1  22.990  -3.295   8.849
   11    HH   TYR   1           HH       TYR   1  24.090  -4.982   7.728
   12    HA   PRO   2           HA       PRO   2  14.202  -1.219   6.097
   13   1HB   PRO   2          1HB       PRO   2  13.548  -3.427   4.563
   14   2HB   PRO   2          2HB       PRO   2  14.407  -1.994   3.937
   15   1HG   PRO   2          1HG       PRO   2  15.500  -4.695   4.599
   16   2HG   PRO   2          2HG       PRO   2  16.085  -3.492   3.413
   17   1HD   PRO   2          1HD       PRO   2  17.085  -3.999   6.027
   18   2HD   PRO   2          2HD       PRO   2  17.556  -2.645   4.959
   19    H    ALA   3           H        ALA   3  12.180  -1.987   6.817
   20    HA   ALA   3           HA       ALA   3  11.517  -4.450   7.941
   21   1HB   ALA   3          1HB       ALA   3  13.120  -2.753   9.739
   22   2HB   ALA   3          2HB       ALA   3  11.500  -2.970  10.386
   23   3HB   ALA   3          3HB       ALA   3  12.482  -4.388   9.995
   24    H    LYS   4           H        LYS   4   9.455  -4.244   9.119
   25    HA   LYS   4           HA       LYS   4   7.266  -3.670   9.156
   26   1HB   LYS   4          1HB       LYS   4   8.533  -0.911   9.446
   27   2HB   LYS   4          2HB       LYS   4   6.826  -1.073   9.374
   28   1HG   LYS   4          1HG       LYS   4   6.935  -1.323  11.597
   29   2HG   LYS   4          2HG       LYS   4   7.261  -3.002  11.235
   30   1HD   LYS   4          1HD       LYS   4   9.267  -2.866  12.272
   31   2HD   LYS   4          2HD       LYS   4   9.792  -1.648  11.117
   32   1HE   LYS   4          1HE       LYS   4  10.046  -0.590  13.174
   33   2HE   LYS   4          2HE       LYS   4   8.552   0.087  12.517
   34   1HZ   LYS   4          1HZ       LYS   4   8.146  -2.274  14.110
   35   2HZ   LYS   4          2HZ       LYS   4   8.831  -1.056  14.971
   36   3HZ   LYS   4          3HZ       LYS   4   7.382  -0.832  14.204
   37    HA   PRO   5           HA       PRO   5   5.794  -2.943   5.120
   38   1HB   PRO   5          1HB       PRO   5   3.282  -1.760   5.501
   39   2HB   PRO   5          2HB       PRO   5   3.641  -3.498   5.572
   40   1HG   PRO   5          1HG       PRO   5   3.070  -1.648   7.788
   41   2HG   PRO   5          2HG       PRO   5   2.978  -3.430   7.745
   42   1HD   PRO   5          1HD       PRO   5   5.001  -1.819   8.877
   43   2HD   PRO   5          2HD       PRO   5   5.026  -3.596   8.722
   44    H    GLU   6           H        GLU   6   4.943  -1.259   3.574
   45    HA   GLU   6           HA       GLU   6   6.615   1.006   3.606
   46   1HB   GLU   6          1HB       GLU   6   5.378  -0.168   1.660
   47   2HB   GLU   6          2HB       GLU   6   3.998   0.854   2.097
   48   1HG   GLU   6          1HG       GLU   6   4.960   2.723   1.291
   49   2HG   GLU   6          2HG       GLU   6   6.552   2.335   1.860
   50    H    ALA   7           H        ALA   7   6.072   3.277   3.787
   51    HA   ALA   7           HA       ALA   7   3.719   3.903   5.446
   52   1HB   ALA   7          1HB       ALA   7   5.598   3.244   6.971
   53   2HB   ALA   7          2HB       ALA   7   6.575   4.561   6.283
   54   3HB   ALA   7          3HB       ALA   7   5.089   4.925   7.184
   55    HA   PRO   8           HA       PRO   8   4.017   7.557   2.960
   56   1HB   PRO   8          1HB       PRO   8   2.603   9.364   4.447
   57   2HB   PRO   8          2HB       PRO   8   1.866   8.030   3.533
   58   1HG   PRO   8          1HG       PRO   8   2.240   8.236   6.480
   59   2HG   PRO   8          2HG       PRO   8   0.980   7.390   5.535
   60   1HD   PRO   8          1HD       PRO   8   3.292   6.238   6.696
   61   2HD   PRO   8          2HD       PRO   8   2.205   5.464   5.513
   62    H    GLY   9           H        GLY   9   4.848   9.893   3.003
   63   1HA   GLY   9          1HA       GLY   9   6.423  10.775   5.263
   64   2HA   GLY   9          2HA       GLY   9   7.404  10.156   3.914
   65    H    GLU  10           H        GLU  10   7.254  12.911   4.866
   66    HA   GLU  10           HA       GLU  10   7.278  15.023   4.005
   67   1HB   GLU  10          1HB       GLU  10   7.827  13.690   1.750
   68   2HB   GLU  10          2HB       GLU  10   6.221  14.246   1.285
   69   1HG   GLU  10          1HG       GLU  10   7.149  16.597   2.180
   70   2HG   GLU  10          2HG       GLU  10   8.707  15.816   1.940
   71    H    ASP  11           H        ASP  11   5.570  15.172   5.626
   72    HA   ASP  11           HA       ASP  11   3.542  15.774   6.428
   73   1HB   ASP  11          1HB       ASP  11   3.144  16.963   3.655
   74   2HB   ASP  11          2HB       ASP  11   2.228  17.352   5.092
   75    H    ALA  12           H        ALA  12   3.714  13.334   4.422
   76    HA   ALA  12           HA       ALA  12   2.479  11.711   3.478
   77   1HB   ALA  12          1HB       ALA  12   0.718  12.144   5.926
   78   2HB   ALA  12          2HB       ALA  12   0.747  10.693   4.900
   79   3HB   ALA  12          3HB       ALA  12   2.182  11.144   5.862
   80    H    SER  13           H        SER  13   1.998  12.890   1.589
   81    HA   SER  13           HA       SER  13  -0.096  14.799   1.422
   82   1HB   SER  13          1HB       SER  13   0.628  15.098  -0.672
   83   2HB   SER  13          2HB       SER  13   1.945  14.023  -0.224
   84    HG   SER  13           HG       SER  13   0.969  13.356  -2.146
   85    HA   PRO  14           HA       PRO  14  -3.810  12.505   0.959
   86   1HB   PRO  14          1HB       PRO  14  -5.105  13.506  -1.279
   87   2HB   PRO  14          2HB       PRO  14  -5.050  14.299   0.316
   88   1HG   PRO  14          1HG       PRO  14  -3.528  14.972  -2.164
   89   2HG   PRO  14          2HG       PRO  14  -4.039  16.036  -0.827
   90   1HD   PRO  14          1HD       PRO  14  -1.487  14.923  -1.265
   91   2HD   PRO  14          2HD       PRO  14  -2.012  15.724   0.243
   92    H    GLU  15           H        GLU  15  -1.616  12.560  -1.782
   93    HA   GLU  15           HA       GLU  15  -2.795  10.221  -3.084
   94   1HB   GLU  15          1HB       GLU  15  -0.909  12.261  -3.808
   95   2HB   GLU  15          2HB       GLU  15   0.001  10.770  -3.781
   96   1HG   GLU  15          1HG       GLU  15  -0.794  10.256  -5.796
   97   2HG   GLU  15          2HG       GLU  15  -2.407  10.083  -5.133
   98    H    GLU  16           H        GLU  16  -0.410  10.843  -0.569
   99    HA   GLU  16           HA       GLU  16   0.883   8.274  -0.669
  100   1HB   GLU  16          1HB       GLU  16   0.905  10.634   1.044
  101   2HB   GLU  16          2HB       GLU  16   0.772   9.216   2.038
  102   1HG   GLU  16          1HG       GLU  16   3.034   9.203   1.886
  103   2HG   GLU  16          2HG       GLU  16   2.766   8.367   0.375
  104    H    LEU  17           H        LEU  17  -2.153   9.413   0.802
  105    HA   LEU  17           HA       LEU  17  -2.576   7.155   2.458
  106   1HB   LEU  17          1HB       LEU  17  -4.001   9.459   1.879
  107   2HB   LEU  17          2HB       LEU  17  -4.958   8.268   1.034
  108    HG   LEU  17           HG       LEU  17  -4.446   6.981   3.471
  109   1HD1  LEU  17          1HD1      LEU  17  -3.738   9.621   4.027
  110   2HD1  LEU  17          2HD1      LEU  17  -5.413   9.536   4.579
  111   3HD1  LEU  17          3HD1      LEU  17  -4.206   8.394   5.200
  112   1HD2  LEU  17          1HD2      LEU  17  -6.589   7.167   2.160
  113   2HD2  LEU  17          2HD2      LEU  17  -6.739   7.186   3.919
  114   3HD2  LEU  17          3HD2      LEU  17  -6.882   8.705   3.002
  115    H    SER  18           H        SER  18  -3.292   7.603  -1.010
  116    HA   SER  18           HA       SER  18  -4.454   5.015  -1.462
  117   1HB   SER  18          1HB       SER  18  -2.982   6.830  -3.418
  118   2HB   SER  18          2HB       SER  18  -4.040   5.469  -3.821
  119    HG   SER  18           HG       SER  18  -5.317   7.253  -3.889
  120    H    ARG  19           H        ARG  19  -1.125   6.052  -1.073
  121    HA   ARG  19           HA       ARG  19   0.114   3.709  -2.285
  122   1HB   ARG  19          1HB       ARG  19   2.038   4.792  -1.905
  123   2HB   ARG  19          2HB       ARG  19   1.026   6.160  -1.564
  124   1HG   ARG  19          1HG       ARG  19   2.224   6.315   0.317
  125   2HG   ARG  19          2HG       ARG  19   1.203   5.126   1.000
  126   1HD   ARG  19          1HD       ARG  19   2.775   3.584   1.155
  127   2HD   ARG  19          2HD       ARG  19   3.372   3.830  -0.480
  128    HE   ARG  19           HE       ARG  19   4.569   4.853   1.890
  129   1HH1  ARG  19          2HH2      ARG  19   3.855   6.040  -1.320
  130   2HH1  ARG  19          1HH2      ARG  19   5.075   7.284  -1.249
  131   1HH2  ARG  19          2HH1      ARG  19   6.096   6.293   1.942
  132   2HH2  ARG  19          1HH1      ARG  19   6.474   7.325   0.554
  133    H    TYR  20           H        TYR  20  -1.128   4.547   0.891
  134    HA   TYR  20           HA       TYR  20   0.124   2.380   2.329
  135   1HB   TYR  20          1HB       TYR  20  -0.660   4.494   3.369
  136   2HB   TYR  20          2HB       TYR  20  -2.324   4.085   2.967
  137    HD1  TYR  20           1HD      TYR  20   0.563   2.275   4.635
  138    HD2  TYR  20           2HD      TYR  20  -3.593   3.461   4.804
  139    HE1  TYR  20           1HE      TYR  20   0.330   1.151   6.828
  140    HE2  TYR  20           2HE      TYR  20  -3.814   2.332   7.019
  141    HH   TYR  20           HH       TYR  20  -1.104   1.218   8.836
  142    H    TYR  21           H        TYR  21  -3.175   2.921   1.115
  143    HA   TYR  21           HA       TYR  21  -4.185   0.299   1.627
  144   1HB   TYR  21          1HB       TYR  21  -4.996   2.641  -0.098
  145   2HB   TYR  21          2HB       TYR  21  -5.783   1.094  -0.337
  146    HD1  TYR  21           1HD      TYR  21  -7.125   0.014   1.402
  147    HD2  TYR  21           2HD      TYR  21  -5.461   3.958   1.962
  148    HE1  TYR  21           1HE      TYR  21  -8.706   0.415   3.276
  149    HE2  TYR  21           2HE      TYR  21  -7.077   4.366   3.808
  150    HH   TYR  21           HH       TYR  21  -9.153   3.559   4.700
  151    H    ALA  22           H        ALA  22  -2.582   1.674  -1.329
  152    HA   ALA  22           HA       ALA  22  -2.892  -0.727  -2.869
  153   1HB   ALA  22          1HB       ALA  22  -2.359   1.454  -3.854
  154   2HB   ALA  22          2HB       ALA  22  -0.791   1.480  -3.009
  155   3HB   ALA  22          3HB       ALA  22  -1.110   0.264  -4.268
  156    H    SER  23           H        SER  23  -0.193   0.420  -0.709
  157    HA   SER  23           HA       SER  23   1.422  -1.858  -1.155
  158   1HB   SER  23          1HB       SER  23   2.037   0.347   0.124
  159   2HB   SER  23          2HB       SER  23   1.424  -0.522   1.555
  160    HG   SER  23           HG       SER  23   3.282  -1.646  -0.270
  161    H    LEU  24           H        LEU  24  -1.152  -1.339   1.345
  162    HA   LEU  24           HA       LEU  24  -0.829  -3.639   2.819
  163   1HB   LEU  24          1HB       LEU  24  -2.773  -3.065   3.754
  164   2HB   LEU  24          2HB       LEU  24  -2.677  -1.675   2.721
  165    HG   LEU  24           HG       LEU  24  -4.125  -3.106   1.032
  166   1HD1  LEU  24          1HD1      LEU  24  -4.115  -5.278   2.037
  167   2HD1  LEU  24          2HD1      LEU  24  -4.558  -4.614   3.627
  168   3HD1  LEU  24          3HD1      LEU  24  -5.720  -4.616   2.269
  169   1HD2  LEU  24          1HD2      LEU  24  -6.134  -2.509   2.894
  170   2HD2  LEU  24          2HD2      LEU  24  -4.842  -1.342   3.224
  171   3HD2  LEU  24          3HD2      LEU  24  -5.499  -1.519   1.586
  172    H    ARG  25           H        ARG  25  -2.434  -3.462  -0.328
  173    HA   ARG  25           HA       ARG  25  -3.053  -6.311  -0.499
  174   1HB   ARG  25          1HB       ARG  25  -3.158  -3.927  -2.375
  175   2HB   ARG  25          2HB       ARG  25  -3.163  -5.545  -3.059
  176   1HG   ARG  25          1HG       ARG  25  -5.097  -5.777  -1.055
  177   2HG   ARG  25          2HG       ARG  25  -5.295  -4.108  -1.588
  178   1HD   ARG  25          1HD       ARG  25  -6.714  -5.331  -3.045
  179   2HD   ARG  25          2HD       ARG  25  -5.270  -5.068  -4.009
  180    HE   ARG  25           HE       ARG  25  -4.758  -7.336  -3.917
  181   1HH1  ARG  25          2HH2      ARG  25  -7.453  -6.734  -1.790
  182   2HH1  ARG  25          1HH2      ARG  25  -7.845  -8.410  -1.560
  183   1HH2  ARG  25          2HH1      ARG  25  -5.229  -9.529  -3.575
  184   2HH2  ARG  25          1HH1      ARG  25  -6.584  -9.956  -2.573
  185    H    HIS  26           H        HIS  26  -0.468  -4.252  -1.839
  186    HA   HIS  26           HA       HIS  26   0.851  -6.405  -3.193
  187   1HB   HIS  26          1HB       HIS  26   1.156  -3.704  -3.191
  188   2HB   HIS  26          2HB       HIS  26   2.489  -4.128  -2.114
  189    HD1  HIS  26           1HD      HIS  26   4.550  -3.805  -3.786
  190    HE1  HIS  26           1HE      HIS  26   3.190  -6.227  -7.011
  191    H    TYR  27           H        TYR  27   0.900  -5.372   0.142
  192    HA   TYR  27           HA       TYR  27   3.030  -7.010   1.086
  193   1HB   TYR  27          1HB       TYR  27   1.397  -5.011   2.156
  194   2HB   TYR  27          2HB       TYR  27   0.847  -6.429   3.002
  195    HD1  TYR  27           1HD      TYR  27   3.921  -4.532   2.003
  196    HD2  TYR  27           2HD      TYR  27   2.114  -7.209   4.858
  197    HE1  TYR  27           1HE      TYR  27   5.960  -4.384   3.430
  198    HE2  TYR  27           2HE      TYR  27   4.100  -6.976   6.335
  199    HH   TYR  27           HH       TYR  27   7.029  -5.941   5.325
  200    H    LEU  28           H        LEU  28  -0.521  -7.507   0.958
  201    HA   LEU  28           HA       LEU  28  -0.621 -10.088   2.135
  202   1HB   LEU  28          1HB       LEU  28  -2.704  -9.168   1.875
  203   2HB   LEU  28          2HB       LEU  28  -2.320  -8.436   0.334
  204    HG   LEU  28           HG       LEU  28  -2.459 -10.733  -0.733
  205   1HD1  LEU  28          1HD1      LEU  28  -4.242 -11.739   1.419
  206   2HD1  LEU  28          2HD1      LEU  28  -3.063 -12.594   0.405
  207   3HD1  LEU  28          3HD1      LEU  28  -2.525 -11.733   1.857
  208   1HD2  LEU  28          1HD2      LEU  28  -4.819 -10.654  -0.955
  209   2HD2  LEU  28          2HD2      LEU  28  -4.996  -9.678   0.529
  210   3HD2  LEU  28          3HD2      LEU  28  -4.177  -8.995  -0.891
  211    H    ASN  29           H        ASN  29   0.183  -9.177  -1.223
  212    HA   ASN  29           HA       ASN  29   0.491 -11.963  -2.046
  213   1HB   ASN  29          1HB       ASN  29  -0.102  -9.879  -3.500
  214   2HB   ASN  29          2HB       ASN  29   1.639  -9.588  -3.529
  215   1HD2  ASN  29          1HD2      ASN  29  -0.911 -12.001  -4.304
  216   2HD2  ASN  29          2HD2      ASN  29   0.077 -12.755  -5.563
  217    H    LEU  30           H        LEU  30   2.490  -9.862  -0.245
  218    HA   LEU  30           HA       LEU  30   5.049 -11.142  -0.980
  219   1HB   LEU  30          1HB       LEU  30   5.272  -8.880  -0.689
  220   2HB   LEU  30          2HB       LEU  30   4.135  -8.764   0.589
  221    HG   LEU  30           HG       LEU  30   6.477 -10.350   1.427
  222   1HD1  LEU  30          1HD1      LEU  30   8.161  -8.783   1.346
  223   2HD1  LEU  30          2HD1      LEU  30   7.463  -8.704  -0.273
  224   3HD1  LEU  30          3HD1      LEU  30   7.070  -7.441   0.922
  225   1HD2  LEU  30          1HD2      LEU  30   5.202  -9.614   3.219
  226   2HD2  LEU  30          2HD2      LEU  30   6.441  -8.360   3.176
  227   3HD2  LEU  30          3HD2      LEU  30   4.850  -8.030   2.505
  228    H    VAL  31           H        VAL  31   2.693 -11.078   1.720
  229    HA   VAL  31           HA       VAL  31   4.246 -12.916   3.321
  230    HB   VAL  31           HB       VAL  31   1.271 -12.579   3.736
  231   1HG1  VAL  31          1HG1      VAL  31   2.151 -14.027   5.343
  232   2HG1  VAL  31          2HG1      VAL  31   3.703 -13.169   5.452
  233   3HG1  VAL  31          3HG1      VAL  31   2.240 -12.494   6.194
  234   1HG2  VAL  31          1HG2      VAL  31   3.263 -10.367   3.879
  235   2HG2  VAL  31          2HG2      VAL  31   1.497 -10.349   3.740
  236   3HG2  VAL  31          3HG2      VAL  31   2.255 -10.547   5.305
  237    H    THR  32           H        THR  32   2.616 -13.506   0.519
  238    HA   THR  32           HA       THR  32   2.061 -16.372   1.156
  239    HB   THR  32           HB       THR  32   0.195 -14.771   0.500
  240    HG1  THR  32           1HG      THR  32  -0.752 -16.476  -0.732
  241   1HG2  THR  32          1HG2      THR  32   1.545 -14.053  -1.678
  242   2HG2  THR  32          2HG2      THR  32   0.747 -15.467  -2.368
  243   3HG2  THR  32          3HG2      THR  32  -0.223 -14.153  -1.660
  244    H    ARG  33           H        ARG  33   4.654 -15.098   0.385
  245    HA   ARG  33           HA       ARG  33   5.479 -17.110  -1.593
  246   1HB   ARG  33          1HB       ARG  33   4.590 -14.725  -2.640
  247   2HB   ARG  33          2HB       ARG  33   6.269 -14.320  -2.373
  248   1HG   ARG  33          1HG       ARG  33   6.343 -15.191  -4.519
  249   2HG   ARG  33          2HG       ARG  33   6.749 -16.634  -3.598
  250   1HD   ARG  33          1HD       ARG  33   3.882 -15.946  -4.399
  251   2HD   ARG  33          2HD       ARG  33   4.952 -16.820  -5.487
  252    HE   ARG  33           HE       ARG  33   3.635 -17.807  -3.074
  253   1HH1  ARG  33          2HH2      ARG  33   6.426 -18.346  -5.120
  254   2HH1  ARG  33          1HH2      ARG  33   6.557 -20.038  -4.762
  255   1HH2  ARG  33          2HH1      ARG  33   3.755 -20.027  -2.681
  256   2HH2  ARG  33          1HH1      ARG  33   5.017 -20.987  -3.397
  257    H    GLN  34           H        GLN  34   6.195 -16.781   1.133
  258    HA   GLN  34           HA       GLN  34   9.097 -16.213   0.852
  259   1HB   GLN  34          1HB       GLN  34   7.390 -14.515   2.223
  260   2HB   GLN  34          2HB       GLN  34   7.921 -15.610   3.511
  261   1HG   GLN  34          1HG       GLN  34  10.321 -15.189   2.666
  262   2HG   GLN  34          2HG       GLN  34   9.635 -13.913   1.647
  263   1HE2  GLN  34          1HE2      GLN  34  11.642 -13.405   3.646
  264   2HE2  GLN  34          2HE2      GLN  34  10.824 -12.457   4.888
  265    H    ARG  35           H        ARG  35  10.472 -17.446   2.063
  266    HA   ARG  35           HA       ARG  35   9.501 -19.523   3.863
  267   1HB   ARG  35          1HB       ARG  35  10.094 -20.123   1.039
  268   2HB   ARG  35          2HB       ARG  35  11.123 -21.058   2.113
  269   1HG   ARG  35          1HG       ARG  35   8.099 -20.905   2.409
  270   2HG   ARG  35          2HG       ARG  35   8.944 -22.172   1.523
  271   1HD   ARG  35          1HD       ARG  35   9.661 -23.240   3.396
  272   2HD   ARG  35          2HD       ARG  35  10.026 -21.735   4.243
  273    HE   ARG  35           HE       ARG  35   7.164 -22.367   3.939
  274   1HH1  ARG  35          2HH2      ARG  35   9.911 -22.605   6.091
  275   2HH1  ARG  35          1HH2      ARG  35   8.930 -22.741   7.527
  276   1HH2  ARG  35          2HH1      ARG  35   5.928 -22.426   5.811
  277   2HH2  ARG  35          1HH1      ARG  35   6.693 -22.567   7.351
  278    H    TYR  36           H        TYR  36  10.693 -18.562   5.415
  279    HA   TYR  36           HA       TYR  36  13.368 -17.735   5.346
  280   1HB   TYR  36          1HB       TYR  36  11.540 -17.432   7.140
  281   2HB   TYR  36          2HB       TYR  36  11.966 -19.028   7.721
  282    HD1  TYR  36           1HD      TYR  36  13.791 -19.254   9.276
  283    HD2  TYR  36           2HD      TYR  36  13.339 -15.625   6.981
  284    HE1  TYR  36           1HE      TYR  36  15.551 -18.170  10.650
  285    HE2  TYR  36           2HE      TYR  36  15.119 -14.545   8.350
  286    HH   TYR  36           HH       TYR  36  16.800 -16.278  10.981
  287   1HN   NH2  37          NH1       NHE  37  12.169 -20.984   6.474
  288   2HN   NH2  37          NH2       NHE  37  13.720 -21.762   6.140
  Start of MODEL   11
    1   1H    TYR   1          1H        TYR   1  11.998   3.994  11.012
    2   2H    TYR   1          2H        TYR   1  12.039   4.318  12.620
    3   3H    TYR   1          3H        TYR   1  13.333   3.591  11.888
    4    HA   TYR   1           HA       TYR   1  12.074   1.625  11.434
    5   1HB   TYR   1          1HB       TYR   1  12.001   2.603  14.302
    6   2HB   TYR   1          2HB       TYR   1  11.539   0.971  13.833
    7    HD1  TYR   1           1HD      TYR   1  14.225   2.825  15.106
    8    HD2  TYR   1           2HD      TYR   1  13.330  -0.251  12.196
    9    HE1  TYR   1           1HE      TYR   1  16.592   2.055  15.165
   10    HE2  TYR   1           2HE      TYR   1  15.698  -0.979  12.245
   11    HH   TYR   1           HH       TYR   1  17.814  -0.565  13.078
   12    HA   PRO   2           HA       PRO   2   7.739   3.068  11.187
   13   1HB   PRO   2          1HB       PRO   2   7.222   1.914   8.702
   14   2HB   PRO   2          2HB       PRO   2   7.750   3.592   8.976
   15   1HG   PRO   2          1HG       PRO   2   9.318   1.316   7.906
   16   2HG   PRO   2          2HG       PRO   2   9.586   3.061   7.732
   17   1HD   PRO   2          1HD       PRO   2  10.905   1.259   9.522
   18   2HD   PRO   2          2HD       PRO   2  11.112   3.020   9.420
   19    H    ALA   3           H        ALA   3   5.806   1.579  10.897
   20    HA   ALA   3           HA       ALA   3   6.080  -0.886  12.350
   21   1HB   ALA   3          1HB       ALA   3   3.840   0.234  10.601
   22   2HB   ALA   3          2HB       ALA   3   3.674  -1.132  11.716
   23   3HB   ALA   3          3HB       ALA   3   4.023   0.482  12.348
   24    H    LYS   4           H        LYS   4   5.247  -2.983  11.372
   25    HA   LYS   4           HA       LYS   4   6.775  -4.180   9.417
   26   1HB   LYS   4          1HB       LYS   4   4.010  -4.651  10.491
   27   2HB   LYS   4          2HB       LYS   4   4.423  -5.507   9.021
   28   1HG   LYS   4          1HG       LYS   4   5.835  -6.940  10.050
   29   2HG   LYS   4          2HG       LYS   4   6.583  -5.677  11.006
   30   1HD   LYS   4          1HD       LYS   4   5.692  -6.775  12.716
   31   2HD   LYS   4          2HD       LYS   4   4.278  -5.795  12.398
   32   1HE   LYS   4          1HE       LYS   4   4.499  -8.402  10.902
   33   2HE   LYS   4          2HE       LYS   4   4.355  -8.539  12.652
   34   1HZ   LYS   4          1HZ       LYS   4   2.191  -8.582  11.563
   35   2HZ   LYS   4          2HZ       LYS   4   2.300  -7.344  12.595
   36   3HZ   LYS   4          3HZ       LYS   4   2.415  -7.056  10.973
   37    HA   PRO   5           HA       PRO   5   4.199  -2.813   5.685
   38   1HB   PRO   5          1HB       PRO   5   2.163  -1.013   5.932
   39   2HB   PRO   5          2HB       PRO   5   1.943  -2.776   6.047
   40   1HG   PRO   5          1HG       PRO   5   2.094  -0.756   8.277
   41   2HG   PRO   5          2HG       PRO   5   1.075  -2.227   8.151
   42   1HD   PRO   5          1HD       PRO   5   3.461  -1.946   9.547
   43   2HD   PRO   5          2HD       PRO   5   2.750  -3.512   9.064
   44    H    GLU   6           H        GLU   6   6.014  -1.813   5.069
   45    HA   GLU   6           HA       GLU   6   7.108   0.560   6.064
   46   1HB   GLU   6          1HB       GLU   6   7.945  -1.266   4.247
   47   2HB   GLU   6          2HB       GLU   6   7.357  -0.039   3.130
   48   1HG   GLU   6          1HG       GLU   6   8.786   1.600   4.685
   49   2HG   GLU   6          2HG       GLU   6   9.593   0.107   5.167
   50    H    ALA   7           H        ALA   7   7.145   2.732   5.240
   51    HA   ALA   7           HA       ALA   7   5.280   3.576   3.227
   52   1HB   ALA   7          1HB       ALA   7   3.671   3.387   5.000
   53   2HB   ALA   7          2HB       ALA   7   4.743   4.202   6.160
   54   3HB   ALA   7          3HB       ALA   7   4.027   5.117   4.805
   55    HA   PRO   8           HA       PRO   8   8.617   6.612   3.307
   56   1HB   PRO   8          1HB       PRO   8   7.667   8.345   1.358
   57   2HB   PRO   8          2HB       PRO   8   8.507   6.803   1.040
   58   1HG   PRO   8          1HG       PRO   8   5.593   7.426   0.798
   59   2HG   PRO   8          2HG       PRO   8   6.585   6.212  -0.059
   60   1HD   PRO   8          1HD       PRO   8   4.851   5.761   2.154
   61   2HD   PRO   8          2HD       PRO   8   6.040   4.608   1.474
   62    H    GLY   9           H        GLY   9   8.755   7.947   5.034
   63   1HA   GLY   9          1HA       GLY   9   8.333   9.692   6.499
   64   2HA   GLY   9          2HA       GLY   9   7.347  10.437   5.230
   65    H    GLU  10           H        GLU  10   6.179  11.116   7.287
   66    HA   GLU  10           HA       GLU  10   4.168   9.140   8.197
   67   1HB   GLU  10          1HB       GLU  10   3.364  10.971   9.606
   68   2HB   GLU  10          2HB       GLU  10   5.046  10.589   9.909
   69   1HG   GLU  10          1HG       GLU  10   5.816  12.609   9.265
   70   2HG   GLU  10          2HG       GLU  10   4.771  12.724   7.881
   71    H    ASP  11           H        ASP  11   4.481  11.775   5.901
   72    HA   ASP  11           HA       ASP  11   1.917  11.104   4.676
   73   1HB   ASP  11          1HB       ASP  11   1.033  13.327   4.762
   74   2HB   ASP  11          2HB       ASP  11   1.282  12.720   6.389
   75    H    ALA  12           H        ALA  12   3.692  10.337   3.096
   76    HA   ALA  12           HA       ALA  12   5.130  12.378   1.624
   77   1HB   ALA  12          1HB       ALA  12   5.704   9.873   1.809
   78   2HB   ALA  12          2HB       ALA  12   4.606   9.648   0.446
   79   3HB   ALA  12          3HB       ALA  12   6.020  10.707   0.307
   80    H    SER  13           H        SER  13   2.959  13.580   1.575
   81    HA   SER  13           HA       SER  13   1.654  14.867   0.184
   82   1HB   SER  13          1HB       SER  13   1.801  14.735  -2.140
   83   2HB   SER  13          2HB       SER  13   3.274  13.913  -1.666
   84    HG   SER  13           HG       SER  13   2.246  11.966  -1.775
   85    HA   PRO  14           HA       PRO  14  -2.348  12.922   0.548
   86   1HB   PRO  14          1HB       PRO  14  -3.841  13.612  -1.678
   87   2HB   PRO  14          2HB       PRO  14  -3.487  14.705  -0.309
   88   1HG   PRO  14          1HG       PRO  14  -2.279  14.662  -3.044
   89   2HG   PRO  14          2HG       PRO  14  -2.496  16.039  -1.924
   90   1HD   PRO  14          1HD       PRO  14  -0.178  14.532  -2.410
   91   2HD   PRO  14          2HD       PRO  14  -0.375  15.716  -1.077
   92    H    GLU  15           H        GLU  15  -0.486  12.177  -2.339
   93    HA   GLU  15           HA       GLU  15  -2.075   9.863  -3.101
   94   1HB   GLU  15          1HB       GLU  15   0.131  11.343  -4.209
   95   2HB   GLU  15          2HB       GLU  15   0.696   9.712  -3.945
   96   1HG   GLU  15          1HG       GLU  15  -0.184   9.252  -5.953
   97   2HG   GLU  15          2HG       GLU  15  -1.705   9.135  -5.103
   98    H    GLU  16           H        GLU  16   0.189  10.473  -0.492
   99    HA   GLU  16           HA       GLU  16   1.452   7.947  -0.323
  100   1HB   GLU  16          1HB       GLU  16   1.933  10.062   1.023
  101   2HB   GLU  16          2HB       GLU  16   0.587   9.630   2.038
  102   1HG   GLU  16          1HG       GLU  16   2.236   7.258   1.717
  103   2HG   GLU  16          2HG       GLU  16   3.347   8.579   1.929
  104    H    LEU  17           H        LEU  17  -1.604   9.061   1.225
  105    HA   LEU  17           HA       LEU  17  -2.141   6.593   2.539
  106   1HB   LEU  17          1HB       LEU  17  -4.239   8.521   1.455
  107   2HB   LEU  17          2HB       LEU  17  -4.404   7.368   2.768
  108    HG   LEU  17           HG       LEU  17  -4.234   9.349   3.884
  109   1HD1  LEU  17          1HD1      LEU  17  -1.280   8.630   3.833
  110   2HD1  LEU  17          2HD1      LEU  17  -2.175   9.408   5.132
  111   3HD1  LEU  17          3HD1      LEU  17  -2.501   7.706   4.724
  112   1HD2  LEU  17          1HD2      LEU  17  -3.456  10.652   1.751
  113   2HD2  LEU  17          2HD2      LEU  17  -3.111  11.282   3.366
  114   3HD2  LEU  17          3HD2      LEU  17  -1.830  10.482   2.459
  115    H    SER  18           H        SER  18  -2.771   7.634  -0.737
  116    HA   SER  18           HA       SER  18  -4.324   5.303  -1.592
  117   1HB   SER  18          1HB       SER  18  -2.819   7.314  -3.296
  118   2HB   SER  18          2HB       SER  18  -4.060   6.170  -3.831
  119    HG   SER  18           HG       SER  18  -4.482   8.180  -1.867
  120    H    ARG  19           H        ARG  19  -0.895   6.148  -1.478
  121    HA   ARG  19           HA       ARG  19   0.134   3.851  -2.867
  122   1HB   ARG  19          1HB       ARG  19   2.086   4.899  -2.525
  123   2HB   ARG  19          2HB       ARG  19   1.192   6.184  -1.809
  124   1HG   ARG  19          1HG       ARG  19   2.752   5.928  -0.182
  125   2HG   ARG  19          2HG       ARG  19   1.601   4.818   0.480
  126   1HD   ARG  19          1HD       ARG  19   3.469   3.588   0.675
  127   2HD   ARG  19          2HD       ARG  19   2.891   2.981  -0.875
  128    HE   ARG  19           HE       ARG  19   5.146   4.849  -0.337
  129   1HH1  ARG  19          2HH2      ARG  19   3.409   3.157  -2.824
  130   2HH1  ARG  19          1HH2      ARG  19   4.578   3.547  -4.073
  131   1HH2  ARG  19          2HH1      ARG  19   6.638   5.315  -1.925
  132   2HH2  ARG  19          1HH1      ARG  19   6.365   4.751  -3.548
  133    H    TYR  20           H        TYR  20  -0.681   4.469   0.501
  134    HA   TYR  20           HA       TYR  20   0.279   1.952   1.494
  135   1HB   TYR  20          1HB       TYR  20  -0.036   4.149   2.751
  136   2HB   TYR  20          2HB       TYR  20  -1.759   3.799   2.781
  137    HD1  TYR  20           1HD      TYR  20   1.605   2.517   3.814
  138    HD2  TYR  20           2HD      TYR  20  -2.666   2.274   4.403
  139    HE1  TYR  20           1HE      TYR  20   1.978   1.305   5.939
  140    HE2  TYR  20           2HE      TYR  20  -2.282   1.032   6.538
  141    HH   TYR  20           HH       TYR  20   0.923   0.654   7.898
  142    H    TYR  21           H        TYR  21  -3.036   3.120   0.663
  143    HA   TYR  21           HA       TYR  21  -4.435   0.738   1.285
  144   1HB   TYR  21          1HB       TYR  21  -4.865   2.824  -0.867
  145   2HB   TYR  21          2HB       TYR  21  -6.012   1.525  -0.578
  146    HD1  TYR  21           1HD      TYR  21  -6.267   1.316   2.337
  147    HD2  TYR  21           2HD      TYR  21  -5.870   4.808  -0.166
  148    HE1  TYR  21           1HE      TYR  21  -7.353   2.692   4.083
  149    HE2  TYR  21           2HE      TYR  21  -6.955   6.189   1.587
  150    HH   TYR  21           HH       TYR  21  -7.792   4.882   4.773
  151    H    ALA  22           H        ALA  22  -2.840   1.573  -1.827
  152    HA   ALA  22           HA       ALA  22  -3.469  -0.940  -3.082
  153   1HB   ALA  22          1HB       ALA  22  -2.820   0.987  -4.400
  154   2HB   ALA  22          2HB       ALA  22  -1.254   1.101  -3.567
  155   3HB   ALA  22          3HB       ALA  22  -1.603  -0.281  -4.633
  156    H    SER  23           H        SER  23  -0.533   0.183  -1.279
  157    HA   SER  23           HA       SER  23   0.814  -2.309  -1.478
  158   1HB   SER  23          1HB       SER  23   1.588   0.127  -0.591
  159   2HB   SER  23          2HB       SER  23   1.339  -0.681   0.966
  160    HG   SER  23           HG       SER  23   2.885  -1.652  -1.222
  161    H    LEU  24           H        LEU  24  -1.603  -1.245   0.915
  162    HA   LEU  24           HA       LEU  24  -1.343  -3.217   2.843
  163   1HB   LEU  24          1HB       LEU  24  -3.457  -1.404   1.872
  164   2HB   LEU  24          2HB       LEU  24  -4.135  -2.854   2.546
  165    HG   LEU  24           HG       LEU  24  -2.067  -1.190   4.026
  166   1HD1  LEU  24          1HD1      LEU  24  -3.792  -0.004   5.125
  167   2HD1  LEU  24          2HD1      LEU  24  -4.232   0.075   3.423
  168   3HD1  LEU  24          3HD1      LEU  24  -5.073  -1.051   4.501
  169   1HD2  LEU  24          1HD2      LEU  24  -2.980  -2.358   6.000
  170   2HD2  LEU  24          2HD2      LEU  24  -4.177  -3.193   4.984
  171   3HD2  LEU  24          3HD2      LEU  24  -2.450  -3.550   4.802
  172    H    ARG  25           H        ARG  25  -3.279  -3.427  -0.149
  173    HA   ARG  25           HA       ARG  25  -3.820  -6.265   0.293
  174   1HB   ARG  25          1HB       ARG  25  -5.288  -4.577  -1.000
  175   2HB   ARG  25          2HB       ARG  25  -4.178  -4.806  -2.350
  176   1HG   ARG  25          1HG       ARG  25  -4.995  -6.912  -2.821
  177   2HG   ARG  25          2HG       ARG  25  -5.048  -7.367  -1.122
  178   1HD   ARG  25          1HD       ARG  25  -7.274  -7.422  -1.637
  179   2HD   ARG  25          2HD       ARG  25  -7.110  -5.819  -0.921
  180    HE   ARG  25           HE       ARG  25  -6.830  -5.991  -3.855
  181   1HH1  ARG  25          2HH2      ARG  25  -9.112  -5.380  -1.269
  182   2HH1  ARG  25          1HH2      ARG  25 -10.286  -4.642  -2.310
  183   1HH2  ARG  25          2HH1      ARG  25  -8.409  -5.166  -5.195
  184   2HH2  ARG  25          1HH1      ARG  25  -9.880  -4.536  -4.516
  185    H    HIS  26           H        HIS  26  -1.350  -4.425  -1.431
  186    HA   HIS  26           HA       HIS  26  -0.267  -6.732  -2.796
  187   1HB   HIS  26          1HB       HIS  26   0.091  -4.053  -3.066
  188   2HB   HIS  26          2HB       HIS  26   1.549  -4.453  -2.167
  189    HD1  HIS  26           1HD      HIS  26   3.437  -4.585  -4.009
  190    HE1  HIS  26           1HE      HIS  26   1.334  -6.665  -7.071
  191    H    TYR  27           H        TYR  27   0.130  -5.476   0.438
  192    HA   TYR  27           HA       TYR  27   2.447  -6.646   1.319
  193   1HB   TYR  27          1HB       TYR  27   0.622  -5.071   2.448
  194   2HB   TYR  27          2HB       TYR  27   0.012  -6.573   3.102
  195    HD1  TYR  27           1HD      TYR  27   1.017  -7.421   5.076
  196    HD2  TYR  27           2HD      TYR  27   3.121  -4.524   2.678
  197    HE1  TYR  27           1HE      TYR  27   2.841  -7.355   6.766
  198    HE2  TYR  27           2HE      TYR  27   4.980  -4.487   4.344
  199    HH   TYR  27           HH       TYR  27   4.984  -6.664   7.176
  200    H    LEU  28           H        LEU  28  -0.749  -8.099   1.109
  201    HA   LEU  28           HA       LEU  28  -0.245 -10.710   2.134
  202   1HB   LEU  28          1HB       LEU  28  -2.483 -10.180   1.859
  203   2HB   LEU  28          2HB       LEU  28  -2.229  -9.372   0.335
  204    HG   LEU  28           HG       LEU  28  -1.911 -11.588  -0.794
  205   1HD1  LEU  28          1HD1      LEU  28  -3.108 -13.487   0.657
  206   2HD1  LEU  28          2HD1      LEU  28  -1.360 -13.221   0.736
  207   3HD1  LEU  28          3HD1      LEU  28  -2.415 -12.568   2.010
  208   1HD2  LEU  28          1HD2      LEU  28  -4.040 -10.290  -0.759
  209   2HD2  LEU  28          2HD2      LEU  28  -4.219 -12.038  -0.986
  210   3HD2  LEU  28          3HD2      LEU  28  -4.582 -11.308   0.601
  211    H    ASN  29           H        ASN  29   0.174  -9.365  -1.178
  212    HA   ASN  29           HA       ASN  29   1.234 -11.870  -2.218
  213   1HB   ASN  29          1HB       ASN  29   0.894  -9.079  -3.332
  214   2HB   ASN  29          2HB       ASN  29   1.962 -10.231  -4.135
  215   1HD2  ASN  29          1HD2      ASN  29  -1.017  -9.084  -4.606
  216   2HD2  ASN  29          2HD2      ASN  29  -1.734 -10.612  -5.139
  217    H    LEU  30           H        LEU  30   2.595  -9.470  -0.242
  218    HA   LEU  30           HA       LEU  30   5.337  -9.749  -1.235
  219   1HB   LEU  30          1HB       LEU  30   3.850  -7.833   0.246
  220   2HB   LEU  30          2HB       LEU  30   4.988  -8.466   1.400
  221    HG   LEU  30           HG       LEU  30   6.466  -7.968  -1.030
  222   1HD1  LEU  30          1HD1      LEU  30   4.482  -6.590  -1.696
  223   2HD1  LEU  30          2HD1      LEU  30   4.745  -5.581  -0.256
  224   3HD1  LEU  30          3HD1      LEU  30   5.984  -5.662  -1.532
  225   1HD2  LEU  30          1HD2      LEU  30   7.548  -7.730   1.047
  226   2HD2  LEU  30          2HD2      LEU  30   7.433  -6.080   0.418
  227   3HD2  LEU  30          3HD2      LEU  30   6.316  -6.620   1.683
  228    H    VAL  31           H        VAL  31   3.685 -10.410   1.881
  229    HA   VAL  31           HA       VAL  31   5.764 -12.106   2.947
  230    HB   VAL  31           HB       VAL  31   2.834 -11.707   3.603
  231   1HG1  VAL  31          1HG1      VAL  31   4.736 -13.641   4.989
  232   2HG1  VAL  31          2HG1      VAL  31   3.236 -13.025   5.716
  233   3HG1  VAL  31          3HG1      VAL  31   3.160 -14.016   4.255
  234   1HG2  VAL  31          1HG2      VAL  31   5.373 -11.179   5.214
  235   2HG2  VAL  31          2HG2      VAL  31   4.580  -9.966   4.197
  236   3HG2  VAL  31          3HG2      VAL  31   3.725 -10.637   5.592
  237    H    THR  32           H        THR  32   3.263 -12.759   0.603
  238    HA   THR  32           HA       THR  32   3.744 -15.666   0.755
  239    HB   THR  32           HB       THR  32   1.509 -14.311   0.278
  240    HG1  THR  32           1HG      THR  32   1.935 -16.533   0.604
  241   1HG2  THR  32          1HG2      THR  32   2.484 -13.562  -2.047
  242   2HG2  THR  32          2HG2      THR  32   2.069 -15.213  -2.541
  243   3HG2  THR  32          3HG2      THR  32   0.803 -14.136  -1.918
  244    H    ARG  33           H        ARG  33   5.621 -13.296  -0.468
  245    HA   ARG  33           HA       ARG  33   6.908 -15.140  -2.372
  246   1HB   ARG  33          1HB       ARG  33   5.181 -13.831  -3.652
  247   2HB   ARG  33          2HB       ARG  33   6.034 -12.351  -3.219
  248   1HG   ARG  33          1HG       ARG  33   7.911 -14.293  -4.349
  249   2HG   ARG  33          2HG       ARG  33   6.523 -14.140  -5.424
  250   1HD   ARG  33          1HD       ARG  33   6.886 -11.839  -5.797
  251   2HD   ARG  33          2HD       ARG  33   7.856 -11.653  -4.334
  252    HE   ARG  33           HE       ARG  33   9.073 -13.448  -6.274
  253   1HH1  ARG  33          2HH2      ARG  33   8.808 -10.111  -5.375
  254   2HH1  ARG  33          1HH2      ARG  33  10.419  -9.690  -5.914
  255   1HH2  ARG  33          2HH1      ARG  33  11.038 -12.857  -7.225
  256   2HH2  ARG  33          1HH1      ARG  33  11.576 -11.212  -7.084
  257    H    GLN  34           H        GLN  34   7.789 -14.441   0.150
  258    HA   GLN  34           HA       GLN  34  10.017 -12.511  -0.336
  259   1HB   GLN  34          1HB       GLN  34   8.601 -11.971   1.572
  260   2HB   GLN  34          2HB       GLN  34   8.880 -13.564   2.266
  261   1HG   GLN  34          1HG       GLN  34  10.740 -12.812   3.281
  262   2HG   GLN  34          2HG       GLN  34  11.480 -12.481   1.730
  263   1HE2  GLN  34          1HE2      GLN  34  11.889 -10.971   4.233
  264   2HE2  GLN  34          2HE2      GLN  34  11.407  -9.336   3.733
  265    H    ARG  35           H        ARG  35  11.967 -13.251  -0.643
  266    HA   ARG  35           HA       ARG  35  12.685 -16.080  -0.219
  267   1HB   ARG  35          1HB       ARG  35  13.628 -13.842  -1.871
  268   2HB   ARG  35          2HB       ARG  35  14.970 -14.505  -0.983
  269   1HG   ARG  35          1HG       ARG  35  13.233 -16.587  -2.251
  270   2HG   ARG  35          2HG       ARG  35  13.950 -15.446  -3.380
  271   1HD   ARG  35          1HD       ARG  35  16.202 -15.889  -2.286
  272   2HD   ARG  35          2HD       ARG  35  15.422 -17.216  -1.404
  273    HE   ARG  35           HE       ARG  35  14.871 -17.467  -4.188
  274   1HH1  ARG  35          2HH2      ARG  35  17.654 -17.792  -2.080
  275   2HH1  ARG  35          1HH2      ARG  35  18.448 -18.930  -3.129
  276   1HH2  ARG  35          2HH1      ARG  35  15.995 -18.834  -5.572
  277   2HH2  ARG  35          1HH1      ARG  35  17.549 -19.445  -5.110
  278    H    TYR  36           H        TYR  36  14.839 -16.481   0.743
  279    HA   TYR  36           HA       TYR  36  14.937 -16.235   3.423
  280   1HB   TYR  36          1HB       TYR  36  16.471 -17.410   1.501
  281   2HB   TYR  36          2HB       TYR  36  17.609 -16.217   2.087
  282    HD1  TYR  36           1HD      TYR  36  17.197 -16.150   5.009
  283    HD2  TYR  36           2HD      TYR  36  17.054 -19.496   2.282
  284    HE1  TYR  36           1HE      TYR  36  17.781 -17.711   6.867
  285    HE2  TYR  36           2HE      TYR  36  17.654 -21.029   4.129
  286    HH   TYR  36           HH       TYR  36  18.213 -21.210   6.333
  287   1HN   NH2  37          NH1       NHE  37  14.932 -14.461   4.780
  288   2HN   NH2  37          NH2       NHE  37  15.894 -13.023   4.443
  Start of MODEL   12
    1   1H    TYR   1          1H        TYR   1  15.018  -7.136  11.009
    2   2H    TYR   1          2H        TYR   1  15.424  -7.971  12.366
    3   3H    TYR   1          3H        TYR   1  15.895  -8.524  10.886
    4    HA   TYR   1           HA       TYR   1  13.886  -9.372  10.338
    5   1HB   TYR   1          1HB       TYR   1  14.327  -9.501  13.313
    6   2HB   TYR   1          2HB       TYR   1  12.802 -10.077  12.681
    7    HD1  TYR   1           1HD      TYR   1  12.585 -12.315  12.345
    8    HD2  TYR   1           2HD      TYR   1  16.500 -10.535  11.826
    9    HE1  TYR   1           1HE      TYR   1  13.562 -14.549  11.867
   10    HE2  TYR   1           2HE      TYR   1  17.434 -12.761  11.309
   11    HH   TYR   1           HH       TYR   1  16.984 -15.018  11.017
   12    HA   PRO   2           HA       PRO   2  11.070  -5.784  10.961
   13   1HB   PRO   2          1HB       PRO   2  10.735  -5.053   8.333
   14   2HB   PRO   2          2HB       PRO   2  12.043  -4.438   9.380
   15   1HG   PRO   2          1HG       PRO   2  12.200  -6.480   7.194
   16   2HG   PRO   2          2HG       PRO   2  13.434  -5.323   7.764
   17   1HD   PRO   2          1HD       PRO   2  13.218  -8.084   8.446
   18   2HD   PRO   2          2HD       PRO   2  14.294  -6.862   9.195
   19    H    ALA   3           H        ALA   3   8.828  -5.757  10.519
   20    HA   ALA   3           HA       ALA   3   7.522  -7.634   8.753
   21   1HB   ALA   3          1HB       ALA   3   8.322  -8.745  11.208
   22   2HB   ALA   3          2HB       ALA   3   6.625  -8.364  11.473
   23   3HB   ALA   3          3HB       ALA   3   7.100  -9.370  10.102
   24    H    LYS   4           H        LYS   4   7.039  -5.246   8.279
   25    HA   LYS   4           HA       LYS   4   4.434  -4.596   9.312
   26   1HB   LYS   4          1HB       LYS   4   5.085  -2.255  10.079
   27   2HB   LYS   4          2HB       LYS   4   5.553  -3.593  11.113
   28   1HG   LYS   4          1HG       LYS   4   7.409  -2.230  11.180
   29   2HG   LYS   4          2HG       LYS   4   7.890  -3.459  10.050
   30   1HD   LYS   4          1HD       LYS   4   8.522  -1.815   8.690
   31   2HD   LYS   4          2HD       LYS   4   6.824  -1.478   8.358
   32   1HE   LYS   4          1HE       LYS   4   6.665   0.261   9.871
   33   2HE   LYS   4          2HE       LYS   4   8.090  -0.256  10.789
   34   1HZ   LYS   4          1HZ       LYS   4   8.257   0.712   8.003
   35   2HZ   LYS   4          2HZ       LYS   4   8.459   1.698   9.305
   36   3HZ   LYS   4          3HZ       LYS   4   9.493   0.437   9.042
   37    HA   PRO   5           HA       PRO   5   4.238  -2.934   5.212
   38   1HB   PRO   5          1HB       PRO   5   2.029  -1.299   5.376
   39   2HB   PRO   5          2HB       PRO   5   1.965  -3.084   5.321
   40   1HG   PRO   5          1HG       PRO   5   1.678  -1.280   7.707
   41   2HG   PRO   5          2HG       PRO   5   0.840  -2.818   7.349
   42   1HD   PRO   5          1HD       PRO   5   3.028  -2.473   9.047
   43   2HD   PRO   5          2HD       PRO   5   2.543  -4.035   8.318
   44    H    GLU   6           H        GLU   6   6.025  -1.718   4.817
   45    HA   GLU   6           HA       GLU   6   6.725   0.665   6.190
   46   1HB   GLU   6          1HB       GLU   6   8.183  -0.892   4.637
   47   2HB   GLU   6          2HB       GLU   6   7.616   0.167   3.336
   48   1HG   GLU   6          1HG       GLU   6   8.541   2.132   4.544
   49   2HG   GLU   6          2HG       GLU   6   8.996   1.107   5.897
   50    H    ALA   7           H        ALA   7   6.633   2.900   5.549
   51    HA   ALA   7           HA       ALA   7   5.018   3.647   3.283
   52   1HB   ALA   7          1HB       ALA   7   3.129   4.419   4.338
   53   2HB   ALA   7          2HB       ALA   7   3.523   3.158   5.509
   54   3HB   ALA   7          3HB       ALA   7   3.983   4.833   5.838
   55    HA   PRO   8           HA       PRO   8   7.898   7.064   3.995
   56   1HB   PRO   8          1HB       PRO   8   7.084   8.832   2.075
   57   2HB   PRO   8          2HB       PRO   8   7.968   7.329   1.723
   58   1HG   PRO   8          1HG       PRO   8   5.047   7.889   1.373
   59   2HG   PRO   8          2HG       PRO   8   6.124   6.859   0.402
   60   1HD   PRO   8          1HD       PRO   8   4.333   6.013   2.443
   61   2HD   PRO   8          2HD       PRO   8   5.642   5.029   1.716
   62    H    GLY   9           H        GLY   9   6.729   7.099   6.085
   63   1HA   GLY   9          1HA       GLY   9   4.646   8.763   6.899
   64   2HA   GLY   9          2HA       GLY   9   6.108   8.464   7.861
   65    H    GLU  10           H        GLU  10   4.603  10.838   7.846
   66    HA   GLU  10           HA       GLU  10   5.133  13.121   8.114
   67   1HB   GLU  10          1HB       GLU  10   7.548  12.619   7.293
   68   2HB   GLU  10          2HB       GLU  10   6.935  13.107   5.702
   69   1HG   GLU  10          1HG       GLU  10   6.438  15.364   6.772
   70   2HG   GLU  10          2HG       GLU  10   7.154  14.753   8.258
   71    H    ASP  11           H        ASP  11   3.557  11.252   5.953
   72    HA   ASP  11           HA       ASP  11   1.871  11.468   4.526
   73   1HB   ASP  11          1HB       ASP  11   1.582  14.169   5.787
   74   2HB   ASP  11          2HB       ASP  11   0.593  13.639   4.432
   75    H    ALA  12           H        ALA  12   3.473  10.975   2.979
   76    HA   ALA  12           HA       ALA  12   4.784  13.037   1.437
   77   1HB   ALA  12          1HB       ALA  12   4.514  10.209   0.417
   78   2HB   ALA  12          2HB       ALA  12   5.860  11.341   0.284
   79   3HB   ALA  12          3HB       ALA  12   5.509  10.573   1.844
   80    H    SER  13           H        SER  13   2.326  13.843   1.321
   81    HA   SER  13           HA       SER  13   1.016  15.020  -0.155
   82   1HB   SER  13          1HB       SER  13   1.225  14.963  -2.395
   83   2HB   SER  13          2HB       SER  13   2.661  14.031  -2.057
   84    HG   SER  13           HG       SER  13   1.716  12.587  -3.253
   85    HA   PRO  14           HA       PRO  14  -2.769  12.731   0.353
   86   1HB   PRO  14          1HB       PRO  14  -4.406  13.295  -1.797
   87   2HB   PRO  14          2HB       PRO  14  -4.088  14.416  -0.442
   88   1HG   PRO  14          1HG       PRO  14  -2.949  14.447  -3.214
   89   2HG   PRO  14          2HG       PRO  14  -3.320  15.821  -2.130
   90   1HD   PRO  14          1HD       PRO  14  -0.829  14.678  -2.602
   91   2HD   PRO  14          2HD       PRO  14  -1.200  15.734  -1.215
   92    H    GLU  15           H        GLU  15  -0.828  12.115  -2.473
   93    HA   GLU  15           HA       GLU  15  -2.211   9.632  -3.166
   94   1HB   GLU  15          1HB       GLU  15  -0.477  11.322  -4.522
   95   2HB   GLU  15          2HB       GLU  15   0.579   9.997  -4.140
   96   1HG   GLU  15          1HG       GLU  15  -2.146   9.329  -5.300
   97   2HG   GLU  15          2HG       GLU  15  -1.058  10.214  -6.331
   98    H    GLU  16           H        GLU  16  -0.042  10.579  -0.619
   99    HA   GLU  16           HA       GLU  16   1.455   8.163  -0.415
  100   1HB   GLU  16          1HB       GLU  16   1.804  10.354   0.843
  101   2HB   GLU  16          2HB       GLU  16   0.544   9.835   1.955
  102   1HG   GLU  16          1HG       GLU  16   2.425   7.634   1.559
  103   2HG   GLU  16          2HG       GLU  16   3.326   9.105   1.851
  104    H    LEU  17           H        LEU  17  -1.686   9.097   1.065
  105    HA   LEU  17           HA       LEU  17  -1.973   6.644   2.498
  106   1HB   LEU  17          1HB       LEU  17  -4.286   8.345   1.510
  107   2HB   LEU  17          2HB       LEU  17  -4.234   7.260   2.887
  108    HG   LEU  17           HG       LEU  17  -4.172   9.319   3.874
  109   1HD1  LEU  17          1HD1      LEU  17  -2.229   7.910   4.673
  110   2HD1  LEU  17          2HD1      LEU  17  -1.167   8.887   3.652
  111   3HD1  LEU  17          3HD1      LEU  17  -2.061   9.658   4.961
  112   1HD2  LEU  17          1HD2      LEU  17  -3.676  10.535   1.610
  113   2HD2  LEU  17          2HD2      LEU  17  -3.298  11.304   3.156
  114   3HD2  LEU  17          3HD2      LEU  17  -2.000  10.580   2.210
  115    H    SER  18           H        SER  18  -2.980   7.529  -0.834
  116    HA   SER  18           HA       SER  18  -4.235   4.970  -1.364
  117   1HB   SER  18          1HB       SER  18  -4.110   5.659  -3.745
  118   2HB   SER  18          2HB       SER  18  -4.929   6.825  -2.687
  119    HG   SER  18           HG       SER  18  -3.155   7.514  -4.292
  120    H    ARG  19           H        ARG  19  -0.875   6.169  -1.576
  121    HA   ARG  19           HA       ARG  19   0.233   3.862  -2.835
  122   1HB   ARG  19          1HB       ARG  19   2.169   4.931  -2.554
  123   2HB   ARG  19          2HB       ARG  19   1.256   6.232  -1.892
  124   1HG   ARG  19          1HG       ARG  19   2.780   6.108  -0.235
  125   2HG   ARG  19          2HG       ARG  19   1.716   4.924   0.447
  126   1HD   ARG  19          1HD       ARG  19   3.628   3.786   0.630
  127   2HD   ARG  19          2HD       ARG  19   3.139   3.191  -0.952
  128    HE   ARG  19           HE       ARG  19   5.233   5.206  -0.293
  129   1HH1  ARG  19          2HH2      ARG  19   3.755   3.368  -2.850
  130   2HH1  ARG  19          1HH2      ARG  19   5.046   3.694  -3.984
  131   1HH2  ARG  19          2HH1      ARG  19   6.796   5.736  -1.783
  132   2HH2  ARG  19          1HH1      ARG  19   6.744   5.095  -3.389
  133    H    TYR  20           H        TYR  20  -0.606   4.484   0.523
  134    HA   TYR  20           HA       TYR  20   0.575   2.079   1.576
  135   1HB   TYR  20          1HB       TYR  20   0.140   4.194   2.851
  136   2HB   TYR  20          2HB       TYR  20  -1.579   3.856   2.787
  137    HD1  TYR  20           1HD      TYR  20  -2.540   2.786   4.628
  138    HD2  TYR  20           2HD      TYR  20   1.658   2.177   3.811
  139    HE1  TYR  20           1HE      TYR  20  -2.299   1.551   6.769
  140    HE2  TYR  20           2HE      TYR  20   1.894   0.957   5.963
  141    HH   TYR  20           HH       TYR  20  -0.773   0.750   8.287
  142    H    TYR  21           H        TYR  21  -2.892   2.962   1.065
  143    HA   TYR  21           HA       TYR  21  -3.997   0.437   1.654
  144   1HB   TYR  21          1HB       TYR  21  -4.873   2.543  -0.345
  145   2HB   TYR  21          2HB       TYR  21  -5.865   1.169   0.133
  146    HD1  TYR  21           1HD      TYR  21  -5.698   0.888   2.979
  147    HD2  TYR  21           2HD      TYR  21  -5.709   4.514   0.624
  148    HE1  TYR  21           1HE      TYR  21  -6.608   2.157   4.910
  149    HE2  TYR  21           2HE      TYR  21  -6.669   5.750   2.545
  150    HH   TYR  21           HH       TYR  21  -7.890   5.365   4.624
  151    H    ALA  22           H        ALA  22  -2.591   1.489  -1.451
  152    HA   ALA  22           HA       ALA  22  -3.238  -0.944  -2.854
  153   1HB   ALA  22          1HB       ALA  22  -0.916   0.937  -3.429
  154   2HB   ALA  22          2HB       ALA  22  -1.841  -0.068  -4.569
  155   3HB   ALA  22          3HB       ALA  22  -2.596   1.351  -3.821
  156    H    SER  23           H        SER  23  -0.262   0.179  -1.130
  157    HA   SER  23           HA       SER  23   1.264  -2.174  -1.543
  158   1HB   SER  23          1HB       SER  23   1.794   0.239  -0.338
  159   2HB   SER  23          2HB       SER  23   1.686  -0.823   1.069
  160    HG   SER  23           HG       SER  23   3.494  -0.801  -1.045
  161    H    LEU  24           H        LEU  24  -1.006  -1.363   1.109
  162    HA   LEU  24           HA       LEU  24  -0.704  -3.646   2.728
  163   1HB   LEU  24          1HB       LEU  24  -3.143  -1.966   2.088
  164   2HB   LEU  24          2HB       LEU  24  -3.138  -3.202   3.341
  165    HG   LEU  24           HG       LEU  24  -1.134  -0.930   3.426
  166   1HD1  LEU  24          1HD1      LEU  24  -2.962   0.418   3.553
  167   2HD1  LEU  24          2HD1      LEU  24  -4.083  -0.899   3.942
  168   3HD1  LEU  24          3HD1      LEU  24  -3.081  -0.180   5.201
  169   1HD2  LEU  24          1HD2      LEU  24  -0.842  -1.462   5.660
  170   2HD2  LEU  24          2HD2      LEU  24  -2.361  -2.389   5.768
  171   3HD2  LEU  24          3HD2      LEU  24  -0.961  -3.058   4.907
  172    H    ARG  25           H        ARG  25  -2.909  -3.222  -0.100
  173    HA   ARG  25           HA       ARG  25  -3.931  -5.953   0.119
  174   1HB   ARG  25          1HB       ARG  25  -4.676  -3.778  -1.496
  175   2HB   ARG  25          2HB       ARG  25  -3.831  -4.783  -2.631
  176   1HG   ARG  25          1HG       ARG  25  -6.102  -5.512  -2.723
  177   2HG   ARG  25          2HG       ARG  25  -5.219  -6.760  -1.850
  178   1HD   ARG  25          1HD       ARG  25  -7.212  -6.496  -0.633
  179   2HD   ARG  25          2HD       ARG  25  -6.039  -5.621   0.333
  180    HE   ARG  25           HE       ARG  25  -8.262  -4.522  -1.285
  181   1HH1  ARG  25          2HH2      ARG  25  -5.464  -3.682   0.602
  182   2HH1  ARG  25          1HH2      ARG  25  -5.702  -1.974   0.430
  183   1HH2  ARG  25          2HH1      ARG  25  -8.789  -2.370  -1.183
  184   2HH2  ARG  25          1HH1      ARG  25  -7.766  -1.271  -0.303
  185    H    HIS  26           H        HIS  26  -1.278  -4.491  -1.741
  186    HA   HIS  26           HA       HIS  26  -0.528  -6.978  -2.962
  187   1HB   HIS  26          1HB       HIS  26   0.171  -4.357  -3.341
  188   2HB   HIS  26          2HB       HIS  26   1.594  -4.932  -2.481
  189    HD1  HIS  26           1HD      HIS  26   3.332  -5.234  -4.432
  190    HE1  HIS  26           1HE      HIS  26   0.951  -7.403  -7.214
  191    H    TYR  27           H        TYR  27   0.253  -5.584   0.168
  192    HA   TYR  27           HA       TYR  27   2.331  -7.119   1.076
  193   1HB   TYR  27          1HB       TYR  27   0.699  -5.225   2.145
  194   2HB   TYR  27          2HB       TYR  27   0.085  -6.617   2.999
  195    HD1  TYR  27           1HD      TYR  27   0.943  -6.612   5.195
  196    HD2  TYR  27           2HD      TYR  27   3.456  -5.291   1.953
  197    HE1  TYR  27           1HE      TYR  27   2.895  -6.493   6.749
  198    HE2  TYR  27           2HE      TYR  27   5.420  -5.235   3.497
  199    HH   TYR  27           HH       TYR  27   5.645  -6.928   6.064
  200    H    LEU  28           H        LEU  28  -1.090  -8.048   1.007
  201    HA   LEU  28           HA       LEU  28  -0.901 -10.631   2.217
  202   1HB   LEU  28          1HB       LEU  28  -3.022  -9.721   2.116
  203   2HB   LEU  28          2HB       LEU  28  -2.836  -9.144   0.476
  204    HG   LEU  28           HG       LEU  28  -3.078 -11.455  -0.390
  205   1HD1  LEU  28          1HD1      LEU  28  -3.324 -13.302   0.888
  206   2HD1  LEU  28          2HD1      LEU  28  -2.589 -12.352   2.189
  207   3HD1  LEU  28          3HD1      LEU  28  -4.356 -12.492   2.087
  208   1HD2  LEU  28          1HD2      LEU  28  -5.495 -11.577  -0.034
  209   2HD2  LEU  28          2HD2      LEU  28  -5.369 -10.452   1.335
  210   3HD2  LEU  28          3HD2      LEU  28  -4.966  -9.902  -0.311
  211    H    ASN  29           H        ASN  29   0.376  -9.613  -0.812
  212    HA   ASN  29           HA       ASN  29   0.939 -12.441  -1.573
  213   1HB   ASN  29          1HB       ASN  29  -0.007 -10.081  -3.207
  214   2HB   ASN  29          2HB       ASN  29   1.016 -11.296  -3.963
  215   1HD2  ASN  29          1HD2      ASN  29   0.203 -13.352  -4.420
  216   2HD2  ASN  29          2HD2      ASN  29  -1.520 -13.705  -4.162
  217    H    LEU  30           H        LEU  30   2.376  -9.787  -0.319
  218    HA   LEU  30           HA       LEU  30   5.002 -10.210  -1.710
  219   1HB   LEU  30          1HB       LEU  30   4.210  -8.088  -2.248
  220   2HB   LEU  30          2HB       LEU  30   3.585  -7.776  -0.657
  221    HG   LEU  30           HG       LEU  30   6.478  -8.075  -0.437
  222   1HD1  LEU  30          1HD1      LEU  30   5.499  -6.195  -2.600
  223   2HD1  LEU  30          2HD1      LEU  30   6.972  -5.889  -1.667
  224   3HD1  LEU  30          3HD1      LEU  30   6.843  -7.359  -2.634
  225   1HD2  LEU  30          1HD2      LEU  30   6.262  -5.867   0.594
  226   2HD2  LEU  30          2HD2      LEU  30   4.616  -5.706  -0.059
  227   3HD2  LEU  30          3HD2      LEU  30   4.984  -6.953   1.161
  228    H    VAL  31           H        VAL  31   3.432  -9.932   1.493
  229    HA   VAL  31           HA       VAL  31   5.775 -10.144   3.115
  230    HB   VAL  31           HB       VAL  31   2.852 -10.792   3.416
  231   1HG1  VAL  31          1HG1      VAL  31   3.724 -12.530   4.794
  232   2HG1  VAL  31          2HG1      VAL  31   4.885 -11.414   5.567
  233   3HG1  VAL  31          3HG1      VAL  31   3.136 -11.221   5.826
  234   1HG2  VAL  31          1HG2      VAL  31   2.763  -8.745   4.275
  235   2HG2  VAL  31          2HG2      VAL  31   4.094  -9.038   5.405
  236   3HG2  VAL  31          3HG2      VAL  31   4.430  -8.479   3.758
  237    H    THR  32           H        THR  32   4.363 -12.443   1.044
  238    HA   THR  32           HA       THR  32   5.985 -14.667   2.196
  239    HB   THR  32           HB       THR  32   3.384 -14.706   0.625
  240    HG1  THR  32           1HG      THR  32   4.163 -15.362   3.266
  241   1HG2  THR  32          1HG2      THR  32   3.418 -17.193   1.420
  242   2HG2  THR  32          2HG2      THR  32   4.266 -16.761  -0.061
  243   3HG2  THR  32          3HG2      THR  32   5.187 -17.003   1.443
  244    H    ARG  33           H        ARG  33   7.014 -12.515   0.412
  245    HA   ARG  33           HA       ARG  33   8.465 -14.380  -1.314
  246   1HB   ARG  33          1HB       ARG  33   6.171 -13.406  -2.401
  247   2HB   ARG  33          2HB       ARG  33   7.244 -12.117  -2.890
  248   1HG   ARG  33          1HG       ARG  33   8.451 -13.481  -4.325
  249   2HG   ARG  33          2HG       ARG  33   8.237 -14.936  -3.341
  250   1HD   ARG  33          1HD       ARG  33   6.053 -15.343  -4.093
  251   2HD   ARG  33          2HD       ARG  33   5.844 -13.695  -4.689
  252    HE   ARG  33           HE       ARG  33   6.962 -14.175  -6.633
  253   1HH1  ARG  33          2HH2      ARG  33   7.440 -16.951  -4.539
  254   2HH1  ARG  33          1HH2      ARG  33   8.064 -17.947  -5.830
  255   1HH2  ARG  33          2HH1      ARG  33   7.783 -15.473  -8.235
  256   2HH2  ARG  33          1HH1      ARG  33   8.219 -17.123  -7.902
  257    H    GLN  34           H        GLN  34   9.426 -12.883   0.805
  258    HA   GLN  34           HA       GLN  34  11.276 -11.029  -0.594
  259   1HB   GLN  34          1HB       GLN  34   9.274 -10.050   1.021
  260   2HB   GLN  34          2HB       GLN  34  10.550 -10.325   2.210
  261   1HG   GLN  34          1HG       GLN  34  12.062  -9.088   0.376
  262   2HG   GLN  34          2HG       GLN  34  10.504  -8.487  -0.196
  263   1HE2  GLN  34          1HE2      GLN  34   9.399  -6.867   1.131
  264   2HE2  GLN  34          2HE2      GLN  34  10.263  -6.209   2.526
  265    H    ARG  35           H        ARG  35  13.345 -10.896   0.222
  266    HA   ARG  35           HA       ARG  35  14.121 -12.515   2.533
  267   1HB   ARG  35          1HB       ARG  35  14.143 -13.926   0.299
  268   2HB   ARG  35          2HB       ARG  35  15.656 -13.075  -0.029
  269   1HG   ARG  35          1HG       ARG  35  15.028 -14.576   2.559
  270   2HG   ARG  35          2HG       ARG  35  15.798 -15.336   1.170
  271   1HD   ARG  35          1HD       ARG  35  17.777 -14.125   1.381
  272   2HD   ARG  35          2HD       ARG  35  17.046 -12.861   2.372
  273    HE   ARG  35           HE       ARG  35  16.703 -14.953   4.002
  274   1HH1  ARG  35          2HH2      ARG  35  19.548 -13.769   2.412
  275   2HH1  ARG  35          1HH2      ARG  35  20.662 -14.377   3.613
  276   1HH2  ARG  35          2HH1      ARG  35  18.088 -15.602   5.625
  277   2HH2  ARG  35          1HH1      ARG  35  19.793 -15.334   5.464
  278    H    TYR  36           H        TYR  36  14.804 -10.785   3.584
  279    HA   TYR  36           HA       TYR  36  16.008  -8.474   2.814
  280   1HB   TYR  36          1HB       TYR  36  15.269  -9.457   5.149
  281   2HB   TYR  36          2HB       TYR  36  16.964  -9.891   5.307
  282    HD1  TYR  36           1HD      TYR  36  18.668  -8.128   5.638
  283    HD2  TYR  36           2HD      TYR  36  14.511  -7.138   5.035
  284    HE1  TYR  36           1HE      TYR  36  19.105  -5.787   6.357
  285    HE2  TYR  36           2HE      TYR  36  14.951  -4.810   5.742
  286    HH   TYR  36           HH       TYR  36  16.567  -3.295   6.257
  287   1HN   NH2  37          NH1       NHE  37  18.036  -7.762   2.050
  288   2HN   NH2  37          NH2       NHE  37  19.414  -8.868   1.965
  Start of MODEL   13
    1   1H    TYR   1          1H        TYR   1  15.272  -6.758   4.077
    2   2H    TYR   1          2H        TYR   1  16.719  -6.894   4.846
    3   3H    TYR   1          3H        TYR   1  16.259  -8.043   3.745
    4    HA   TYR   1           HA       TYR   1  15.341  -9.234   5.334
    5   1HB   TYR   1          1HB       TYR   1  15.355  -8.309   7.715
    6   2HB   TYR   1          2HB       TYR   1  16.901  -8.454   6.910
    7    HD1  TYR   1           1HD      TYR   1  14.150  -5.869   7.414
    8    HD2  TYR   1           2HD      TYR   1  18.396  -6.672   7.157
    9    HE1  TYR   1           1HE      TYR   1  14.618  -3.485   7.782
   10    HE2  TYR   1           2HE      TYR   1  18.850  -4.255   7.603
   11    HH   TYR   1           HH       TYR   1  16.253  -1.896   8.134
   12    HA   PRO   2           HA       PRO   2  11.077  -7.835   5.521
   13   1HB   PRO   2          1HB       PRO   2  10.010  -9.506   7.444
   14   2HB   PRO   2          2HB       PRO   2  10.373 -10.013   5.772
   15   1HG   PRO   2          1HG       PRO   2  11.867 -10.622   8.279
   16   2HG   PRO   2          2HG       PRO   2  11.765 -11.564   6.764
   17   1HD   PRO   2          1HD       PRO   2  13.855  -9.826   7.616
   18   2HD   PRO   2          2HD       PRO   2  13.707 -10.592   6.009
   19    H    ALA   3           H        ALA   3   9.594  -6.674   6.902
   20    HA   ALA   3           HA       ALA   3  10.100  -6.080   9.626
   21   1HB   ALA   3          1HB       ALA   3  11.853  -4.652   8.099
   22   2HB   ALA   3          2HB       ALA   3  10.450  -3.574   7.972
   23   3HB   ALA   3          3HB       ALA   3  11.121  -4.011   9.572
   24    H    LYS   4           H        LYS   4   8.656  -3.838   9.998
   25    HA   LYS   4           HA       LYS   4   5.955  -4.385   9.241
   26   1HB   LYS   4          1HB       LYS   4   7.414  -2.324  10.797
   27   2HB   LYS   4          2HB       LYS   4   6.135  -1.601   9.849
   28   1HG   LYS   4          1HG       LYS   4   5.018  -2.176  11.836
   29   2HG   LYS   4          2HG       LYS   4   4.603  -3.512  10.772
   30   1HD   LYS   4          1HD       LYS   4   6.905  -4.504  11.832
   31   2HD   LYS   4          2HD       LYS   4   6.394  -3.471  13.170
   32   1HE   LYS   4          1HE       LYS   4   4.492  -4.753  13.601
   33   2HE   LYS   4          2HE       LYS   4   4.328  -5.262  11.916
   34   1HZ   LYS   4          1HZ       LYS   4   6.263  -6.734  12.219
   35   2HZ   LYS   4          2HZ       LYS   4   6.432  -6.259  13.766
   36   3HZ   LYS   4          3HZ       LYS   4   5.097  -7.109  13.312
   37    HA   PRO   5           HA       PRO   5   5.327  -2.711   5.301
   38   1HB   PRO   5          1HB       PRO   5   3.017  -1.227   5.453
   39   2HB   PRO   5          2HB       PRO   5   3.079  -3.001   5.431
   40   1HG   PRO   5          1HG       PRO   5   2.609  -1.187   7.766
   41   2HG   PRO   5          2HG       PRO   5   2.017  -2.854   7.482
   42   1HD   PRO   5          1HD       PRO   5   4.146  -2.020   9.081
   43   2HD   PRO   5          2HD       PRO   5   3.840  -3.715   8.571
   44    H    GLU   6           H        GLU   6   5.830  -1.009   3.950
   45    HA   GLU   6           HA       GLU   6   7.440   1.035   5.100
   46   1HB   GLU   6          1HB       GLU   6   7.352  -0.034   2.653
   47   2HB   GLU   6          2HB       GLU   6   6.262   1.309   2.332
   48   1HG   GLU   6          1HG       GLU   6   7.993   2.735   2.123
   49   2HG   GLU   6          2HG       GLU   6   8.551   2.379   3.748
   50    H    ALA   7           H        ALA   7   7.127   3.326   5.152
   51    HA   ALA   7           HA       ALA   7   4.605   4.509   4.578
   52   1HB   ALA   7          1HB       ALA   7   4.375   5.140   7.182
   53   2HB   ALA   7          2HB       ALA   7   3.603   3.708   6.474
   54   3HB   ALA   7          3HB       ALA   7   5.125   3.537   7.368
   55    HA   PRO   8           HA       PRO   8   7.638   7.829   4.745
   56   1HB   PRO   8          1HB       PRO   8   5.894   9.984   4.438
   57   2HB   PRO   8          2HB       PRO   8   6.541   8.975   3.114
   58   1HG   PRO   8          1HG       PRO   8   3.815   8.894   4.341
   59   2HG   PRO   8          2HG       PRO   8   4.367   8.487   2.690
   60   1HD   PRO   8          1HD       PRO   8   3.760   6.770   4.878
   61   2HD   PRO   8          2HD       PRO   8   4.508   6.296   3.320
   62    H    GLY   9           H        GLY   9   8.143   9.664   6.089
   63   1HA   GLY   9          1HA       GLY   9   7.480   9.358   8.889
   64   2HA   GLY   9          2HA       GLY   9   8.491  10.611   8.166
   65    H    GLU  10           H        GLU  10   7.513  12.194   9.521
   66    HA   GLU  10           HA       GLU  10   4.676  12.862   9.416
   67   1HB   GLU  10          1HB       GLU  10   7.154  13.813  10.782
   68   2HB   GLU  10          2HB       GLU  10   5.974  15.062  10.506
   69   1HG   GLU  10          1HG       GLU  10   4.731  12.594  11.573
   70   2HG   GLU  10          2HG       GLU  10   5.987  13.251  12.607
   71    H    ASP  11           H        ASP  11   5.598  12.630   6.838
   72    HA   ASP  11           HA       ASP  11   4.885  15.202   5.684
   73   1HB   ASP  11          1HB       ASP  11   7.697  14.159   5.510
   74   2HB   ASP  11          2HB       ASP  11   6.991  14.731   4.009
   75    H    ALA  12           H        ALA  12   3.045  13.997   5.137
   76    HA   ALA  12           HA       ALA  12   3.249  12.852   2.499
   77   1HB   ALA  12          1HB       ALA  12   3.034  10.656   2.871
   78   2HB   ALA  12          2HB       ALA  12   3.611  11.005   4.511
   79   3HB   ALA  12          3HB       ALA  12   1.877  10.855   4.205
   80    H    SER  13           H        SER  13   1.616  13.834   1.527
   81    HA   SER  13           HA       SER  13  -0.605  15.019   2.847
   82   1HB   SER  13          1HB       SER  13  -1.066  15.889   0.808
   83   2HB   SER  13          2HB       SER  13   0.526  15.272   0.378
   84    HG   SER  13           HG       SER  13  -1.247  14.674  -1.068
   85    HA   PRO  14           HA       PRO  14  -3.630  11.820   3.156
   86   1HB   PRO  14          1HB       PRO  14  -5.955  12.803   1.999
   87   2HB   PRO  14          2HB       PRO  14  -5.331  13.250   3.612
   88   1HG   PRO  14          1HG       PRO  14  -5.264  14.822   1.087
   89   2HG   PRO  14          2HG       PRO  14  -5.269  15.396   2.779
   90   1HD   PRO  14          1HD       PRO  14  -3.074  15.166   1.026
   91   2HD   PRO  14          2HD       PRO  14  -2.972  15.515   2.773
   92    H    GLU  15           H        GLU  15  -2.670  12.850   0.005
   93    HA   GLU  15           HA       GLU  15  -4.024  10.744  -1.509
   94   1HB   GLU  15          1HB       GLU  15  -2.656  13.177  -2.089
   95   2HB   GLU  15          2HB       GLU  15  -1.643  11.906  -2.768
   96   1HG   GLU  15          1HG       GLU  15  -3.547  11.046  -4.056
   97   2HG   GLU  15          2HG       GLU  15  -4.639  12.183  -3.258
   98    H    GLU  16           H        GLU  16  -0.986  11.085   0.300
   99    HA   GLU  16           HA       GLU  16   0.269   8.772  -0.934
  100   1HB   GLU  16          1HB       GLU  16   1.227  10.785   0.606
  101   2HB   GLU  16          2HB       GLU  16   1.031   9.577   1.858
  102   1HG   GLU  16          1HG       GLU  16   2.472   9.048  -0.791
  103   2HG   GLU  16          2HG       GLU  16   3.294   9.769   0.578
  104    H    LEU  17           H        LEU  17  -1.831   9.309   1.914
  105    HA   LEU  17           HA       LEU  17  -1.695   6.687   2.933
  106   1HB   LEU  17          1HB       LEU  17  -3.052   8.968   3.622
  107   2HB   LEU  17          2HB       LEU  17  -4.375   8.049   2.950
  108    HG   LEU  17           HG       LEU  17  -2.890   6.220   4.610
  109   1HD1  LEU  17          1HD1      LEU  17  -2.070   8.568   5.571
  110   2HD1  LEU  17          2HD1      LEU  17  -3.654   8.533   6.375
  111   3HD1  LEU  17          3HD1      LEU  17  -2.483   7.225   6.633
  112   1HD2  LEU  17          1HD2      LEU  17  -4.930   6.044   5.852
  113   2HD2  LEU  17          2HD2      LEU  17  -5.512   7.610   5.239
  114   3HD2  LEU  17          3HD2      LEU  17  -5.330   6.217   4.140
  115    H    SER  18           H        SER  18  -3.696   7.894   0.216
  116    HA   SER  18           HA       SER  18  -5.045   5.357  -0.198
  117   1HB   SER  18          1HB       SER  18  -5.953   6.230  -2.156
  118   2HB   SER  18          2HB       SER  18  -5.872   7.585  -1.035
  119    HG   SER  18           HG       SER  18  -3.647   7.454  -2.639
  120    H    ARG  19           H        ARG  19  -1.831   6.396  -0.946
  121    HA   ARG  19           HA       ARG  19  -1.322   4.451  -3.084
  122   1HB   ARG  19          1HB       ARG  19   0.580   5.628  -3.363
  123   2HB   ARG  19          2HB       ARG  19  -0.161   6.809  -2.324
  124   1HG   ARG  19          1HG       ARG  19   1.813   6.682  -1.331
  125   2HG   ARG  19          2HG       ARG  19   1.073   5.445  -0.354
  126   1HD   ARG  19          1HD       ARG  19   2.508   3.898  -0.980
  127   2HD   ARG  19          2HD       ARG  19   2.230   4.199  -2.701
  128    HE   ARG  19           HE       ARG  19   4.099   5.692  -0.892
  129   1HH1  ARG  19          2HH2      ARG  19   2.628   5.748  -3.982
  130   2HH1  ARG  19          1HH2      ARG  19   3.827   6.801  -4.695
  131   1HH2  ARG  19          2HH1      ARG  19   5.787   6.740  -1.820
  132   2HH2  ARG  19          1HH1      ARG  19   5.645   7.273  -3.497
  133    H    TYR  20           H        TYR  20  -1.180   4.590   0.403
  134    HA   TYR  20           HA       TYR  20   0.559   2.320   0.806
  135   1HB   TYR  20          1HB       TYR  20   0.301   4.098   2.468
  136   2HB   TYR  20          2HB       TYR  20  -1.418   3.754   2.625
  137    HD1  TYR  20           1HD      TYR  20   1.976   2.399   3.297
  138    HD2  TYR  20           2HD      TYR  20  -2.278   1.946   3.944
  139    HE1  TYR  20           1HE      TYR  20   2.404   0.745   5.077
  140    HE2  TYR  20           2HE      TYR  20  -1.821   0.263   5.709
  141    HH   TYR  20           HH       TYR  20   0.227  -1.416   6.159
  142    H    TYR  21           H        TYR  21  -2.959   2.772   1.041
  143    HA   TYR  21           HA       TYR  21  -3.838   0.173   1.658
  144   1HB   TYR  21          1HB       TYR  21  -4.941   2.564   0.205
  145   2HB   TYR  21          2HB       TYR  21  -5.771   1.045  -0.030
  146    HD1  TYR  21           1HD      TYR  21  -7.517   0.531   1.342
  147    HD2  TYR  21           2HD      TYR  21  -4.384   3.080   2.862
  148    HE1  TYR  21           1HE      TYR  21  -8.820   0.879   3.425
  149    HE2  TYR  21           2HE      TYR  21  -5.671   3.380   4.982
  150    HH   TYR  21           HH       TYR  21  -9.000   2.305   5.269
  151    H    ALA  22           H        ALA  22  -2.895   1.477  -1.524
  152    HA   ALA  22           HA       ALA  22  -3.530  -0.899  -3.047
  153   1HB   ALA  22          1HB       ALA  22  -1.806   0.251  -4.636
  154   2HB   ALA  22          2HB       ALA  22  -3.332   1.093  -4.287
  155   3HB   ALA  22          3HB       ALA  22  -1.838   1.584  -3.467
  156    H    SER  23           H        SER  23  -0.545   0.294  -1.447
  157    HA   SER  23           HA       SER  23   1.112  -1.887  -2.258
  158   1HB   SER  23          1HB       SER  23   1.534   0.454  -0.804
  159   2HB   SER  23          2HB       SER  23   1.753  -0.818   0.417
  160    HG   SER  23           HG       SER  23   3.140  -1.862  -1.206
  161    H    LEU  24           H        LEU  24  -1.019  -1.462   0.587
  162    HA   LEU  24           HA       LEU  24  -0.427  -3.697   2.094
  163   1HB   LEU  24          1HB       LEU  24  -2.784  -2.003   1.683
  164   2HB   LEU  24          2HB       LEU  24  -3.263  -3.641   2.056
  165    HG   LEU  24           HG       LEU  24  -1.427  -1.907   3.739
  166   1HD1  LEU  24          1HD1      LEU  24  -4.023  -1.446   3.508
  167   2HD1  LEU  24          2HD1      LEU  24  -4.181  -2.881   4.535
  168   3HD1  LEU  24          3HD1      LEU  24  -3.266  -1.473   5.105
  169   1HD2  LEU  24          1HD2      LEU  24  -0.731  -4.044   4.379
  170   2HD2  LEU  24          2HD2      LEU  24  -2.138  -3.871   5.434
  171   3HD2  LEU  24          3HD2      LEU  24  -2.268  -4.809   3.938
  172    H    ARG  25           H        ARG  25  -2.637  -3.731  -0.741
  173    HA   ARG  25           HA       ARG  25  -3.113  -6.546  -0.648
  174   1HB   ARG  25          1HB       ARG  25  -4.072  -4.521  -2.194
  175   2HB   ARG  25          2HB       ARG  25  -2.979  -5.247  -3.357
  176   1HG   ARG  25          1HG       ARG  25  -5.159  -6.667  -1.772
  177   2HG   ARG  25          2HG       ARG  25  -5.336  -6.137  -3.424
  178   1HD   ARG  25          1HD       ARG  25  -3.119  -8.102  -2.778
  179   2HD   ARG  25          2HD       ARG  25  -4.769  -8.653  -2.808
  180    HE   ARG  25           HE       ARG  25  -4.892  -8.393  -5.062
  181   1HH1  ARG  25          2HH2      ARG  25  -1.831  -7.020  -4.097
  182   2HH1  ARG  25          1HH2      ARG  25  -1.381  -6.601  -5.738
  183   1HH2  ARG  25          2HH1      ARG  25  -4.160  -8.094  -7.128
  184   2HH2  ARG  25          1HH1      ARG  25  -2.602  -7.369  -7.425
  185    H    HIS  26           H        HIS  26  -0.597  -4.711  -2.386
  186    HA   HIS  26           HA       HIS  26   0.673  -7.047  -3.498
  187   1HB   HIS  26          1HB       HIS  26   0.840  -4.381  -4.000
  188   2HB   HIS  26          2HB       HIS  26   2.273  -4.557  -2.997
  189    HD1  HIS  26           1HD      HIS  26   4.167  -4.460  -4.877
  190    HE1  HIS  26           1HE      HIS  26   2.682  -7.454  -7.502
  191    H    TYR  27           H        TYR  27   0.892  -5.515  -0.417
  192    HA   TYR  27           HA       TYR  27   3.234  -6.831   0.594
  193   1HB   TYR  27          1HB       TYR  27   1.953  -4.606   1.270
  194   2HB   TYR  27          2HB       TYR  27   0.984  -5.667   2.270
  195    HD1  TYR  27           1HD      TYR  27   4.440  -4.578   1.463
  196    HD2  TYR  27           2HD      TYR  27   1.802  -6.363   4.383
  197    HE1  TYR  27           1HE      TYR  27   6.236  -4.409   3.184
  198    HE2  TYR  27           2HE      TYR  27   3.604  -6.179   6.105
  199    HH   TYR  27           HH       TYR  27   6.705  -4.610   5.521
  200    H    LEU  28           H        LEU  28  -0.286  -7.318   1.089
  201    HA   LEU  28           HA       LEU  28  -0.143  -9.699   2.667
  202   1HB   LEU  28          1HB       LEU  28  -2.234  -8.737   2.681
  203   2HB   LEU  28          2HB       LEU  28  -2.173  -8.293   0.987
  204    HG   LEU  28           HG       LEU  28  -2.539 -10.723   0.369
  205   1HD1  LEU  28          1HD1      LEU  28  -2.669 -10.972   3.370
  206   2HD1  LEU  28          2HD1      LEU  28  -3.840 -11.897   2.405
  207   3HD1  LEU  28          3HD1      LEU  28  -2.113 -12.132   2.146
  208   1HD2  LEU  28          1HD2      LEU  28  -4.918 -10.616   0.742
  209   2HD2  LEU  28          2HD2      LEU  28  -4.695  -9.326   1.958
  210   3HD2  LEU  28          3HD2      LEU  28  -4.265  -9.056   0.247
  211    H    ASN  29           H        ASN  29  -0.072  -9.214  -0.900
  212    HA   ASN  29           HA       ASN  29   0.105 -12.048  -1.468
  213   1HB   ASN  29          1HB       ASN  29   0.438  -9.474  -2.964
  214   2HB   ASN  29          2HB       ASN  29   1.371 -10.827  -3.585
  215   1HD2  ASN  29          1HD2      ASN  29  -0.142 -10.219  -5.441
  216   2HD2  ASN  29          2HD2      ASN  29  -1.608 -11.215  -5.471
  217    H    LEU  30           H        LEU  30   2.410 -10.092   0.081
  218    HA   LEU  30           HA       LEU  30   4.735 -11.558  -0.967
  219   1HB   LEU  30          1HB       LEU  30   4.278  -8.958   0.104
  220   2HB   LEU  30          2HB       LEU  30   5.143  -9.787   1.367
  221    HG   LEU  30           HG       LEU  30   6.527 -10.428  -1.066
  222   1HD1  LEU  30          1HD1      LEU  30   6.958  -8.257  -2.054
  223   2HD1  LEU  30          2HD1      LEU  30   5.215  -8.576  -2.088
  224   3HD1  LEU  30          3HD1      LEU  30   5.880  -7.462  -0.876
  225   1HD2  LEU  30          1HD2      LEU  30   8.254  -8.842  -0.047
  226   2HD2  LEU  30          2HD2      LEU  30   7.094  -8.577   1.269
  227   3HD2  LEU  30          3HD2      LEU  30   7.728 -10.206   0.947
  228    H    VAL  31           H        VAL  31   3.239 -10.950   2.228
  229    HA   VAL  31           HA       VAL  31   4.582 -13.309   3.401
  230    HB   VAL  31           HB       VAL  31   2.678 -11.223   4.485
  231   1HG1  VAL  31          1HG1      VAL  31   3.479 -13.828   5.824
  232   2HG1  VAL  31          2HG1      VAL  31   3.004 -12.391   6.731
  233   3HG1  VAL  31          3HG1      VAL  31   1.861 -13.126   5.617
  234   1HG2  VAL  31          1HG2      VAL  31   5.519 -12.123   5.130
  235   2HG2  VAL  31          2HG2      VAL  31   5.028 -10.588   4.369
  236   3HG2  VAL  31          3HG2      VAL  31   4.625 -10.914   6.065
  237    H    THR  32           H        THR  32   1.528 -12.697   1.810
  238    HA   THR  32           HA       THR  32  -0.210 -13.937   1.242
  239    HB   THR  32           HB       THR  32   0.201 -15.742   0.078
  240    HG1  THR  32           1HG      THR  32   1.534 -17.470   0.767
  241   1HG2  THR  32          1HG2      THR  32   2.186 -14.212  -0.294
  242   2HG2  THR  32          2HG2      THR  32   3.130 -15.275   0.754
  243   3HG2  THR  32          3HG2      THR  32   2.448 -15.898  -0.756
  244    H    ARG  33           H        ARG  33   0.525 -13.672   4.103
  245    HA   ARG  33           HA       ARG  33  -1.607 -15.225   5.405
  246   1HB   ARG  33          1HB       ARG  33   0.500 -16.676   5.124
  247   2HB   ARG  33          2HB       ARG  33   1.316 -15.582   6.231
  248   1HG   ARG  33          1HG       ARG  33  -1.278 -16.383   7.328
  249   2HG   ARG  33          2HG       ARG  33  -0.409 -17.812   6.815
  250   1HD   ARG  33          1HD       ARG  33   1.373 -17.443   8.310
  251   2HD   ARG  33          2HD       ARG  33   1.020 -15.738   8.514
  252    HE   ARG  33           HE       ARG  33  -0.075 -17.910  10.055
  253   1HH1  ARG  33          2HH2      ARG  33  -0.901 -14.677   8.940
  254   2HH1  ARG  33          1HH2      ARG  33  -2.149 -14.458  10.149
  255   1HH2  ARG  33          2HH1      ARG  33  -1.620 -17.572  11.644
  256   2HH2  ARG  33          1HH1      ARG  33  -2.492 -16.051  11.660
  257    H    GLN  34           H        GLN  34  -1.315 -12.388   5.086
  258    HA   GLN  34           HA       GLN  34  -1.135 -11.635   7.956
  259   1HB   GLN  34          1HB       GLN  34   1.000 -11.020   6.451
  260   2HB   GLN  34          2HB       GLN  34   0.004  -9.646   6.020
  261   1HG   GLN  34          1HG       GLN  34   1.171  -8.876   7.896
  262   2HG   GLN  34          2HG       GLN  34  -0.358  -9.387   8.622
  263   1HE2  GLN  34          1HE2      GLN  34  -0.018 -10.637  10.579
  264   2HE2  GLN  34          2HE2      GLN  34   1.447 -11.630  10.709
  265    H    ARG  35           H        ARG  35  -3.397 -11.842   7.870
  266    HA   ARG  35           HA       ARG  35  -4.906 -10.052   6.125
  267   1HB   ARG  35          1HB       ARG  35  -5.521 -12.382   7.740
  268   2HB   ARG  35          2HB       ARG  35  -6.490 -11.059   8.344
  269   1HG   ARG  35          1HG       ARG  35  -6.680 -10.910   5.479
  270   2HG   ARG  35          2HG       ARG  35  -6.735 -12.614   5.878
  271   1HD   ARG  35          1HD       ARG  35  -8.907 -12.356   6.297
  272   2HD   ARG  35          2HD       ARG  35  -8.491 -11.448   7.753
  273    HE   ARG  35           HE       ARG  35  -8.370  -9.582   5.697
  274   1HH1  ARG  35          2HH2      ARG  35 -10.877 -11.635   6.988
  275   2HH1  ARG  35          1HH2      ARG  35 -12.176 -10.629   6.425
  276   1HH2  ARG  35          2HH1      ARG  35 -10.051  -8.248   5.022
  277   2HH2  ARG  35          1HH1      ARG  35 -11.689  -8.705   5.352
  278    H    TYR  36           H        TYR  36  -5.979  -8.208   6.665
  279    HA   TYR  36           HA       TYR  36  -5.974  -7.150   9.373
  280   1HB   TYR  36          1HB       TYR  36  -3.593  -6.860   8.286
  281   2HB   TYR  36          2HB       TYR  36  -4.341  -5.594   7.340
  282    HD1  TYR  36           1HD      TYR  36  -4.153  -6.831  10.904
  283    HD2  TYR  36           2HD      TYR  36  -4.132  -3.438   8.247
  284    HE1  TYR  36           1HE      TYR  36  -3.808  -5.317  12.852
  285    HE2  TYR  36           2HE      TYR  36  -3.749  -1.919  10.200
  286    HH   TYR  36           HH       TYR  36  -4.036  -3.001  13.498
  287   1HN   NH2  37          NH1       NHE  37  -8.274  -6.890   9.125
  288   2HN   NH2  37          NH2       NHE  37  -8.898  -5.747   7.935
  Start of MODEL   14
    1   1H    TYR   1          1H        TYR   1   7.597  -6.242   1.885
    2   2H    TYR   1          2H        TYR   1   7.038  -4.881   2.584
    3   3H    TYR   1          3H        TYR   1   7.257  -4.911   0.953
    4    HA   TYR   1           HA       TYR   1   9.640  -5.160   1.276
    5   1HB   TYR   1          1HB       TYR   1   8.101  -2.759   2.225
    6   2HB   TYR   1          2HB       TYR   1   9.811  -2.795   2.551
    7    HD1  TYR   1           1HD      TYR   1  11.241  -1.850   0.965
    8    HD2  TYR   1           2HD      TYR   1   7.479  -3.515  -0.390
    9    HE1  TYR   1           1HE      TYR   1  11.750  -1.144  -1.349
   10    HE2  TYR   1           2HE      TYR   1   8.030  -2.839  -2.699
   11    HH   TYR   1           HH       TYR   1  11.045  -1.122  -3.505
   12    HA   PRO   2           HA       PRO   2  10.991  -6.390   5.350
   13   1HB   PRO   2          1HB       PRO   2  13.552  -5.312   5.459
   14   2HB   PRO   2          2HB       PRO   2  13.104  -6.792   4.577
   15   1HG   PRO   2          1HG       PRO   2  13.731  -4.097   3.488
   16   2HG   PRO   2          2HG       PRO   2  13.848  -5.699   2.705
   17   1HD   PRO   2          1HD       PRO   2  11.783  -3.754   2.427
   18   2HD   PRO   2          2HD       PRO   2  11.790  -5.408   1.748
   19    H    ALA   3           H        ALA   3  11.744  -5.485   7.449
   20    HA   ALA   3           HA       ALA   3  11.492  -4.107   9.215
   21   1HB   ALA   3          1HB       ALA   3  11.939  -1.496   8.076
   22   2HB   ALA   3          2HB       ALA   3  13.020  -2.518   9.036
   23   3HB   ALA   3          3HB       ALA   3  12.980  -2.657   7.269
   24    H    LYS   4           H        LYS   4   9.155  -4.922   8.492
   25    HA   LYS   4           HA       LYS   4   6.903  -4.656   8.612
   26   1HB   LYS   4          1HB       LYS   4   7.882  -2.343  10.282
   27   2HB   LYS   4          2HB       LYS   4   6.275  -2.176   9.680
   28   1HG   LYS   4          1HG       LYS   4   5.702  -3.319  11.555
   29   2HG   LYS   4          2HG       LYS   4   6.056  -4.734  10.587
   30   1HD   LYS   4          1HD       LYS   4   7.398  -5.253  12.391
   31   2HD   LYS   4          2HD       LYS   4   8.569  -4.251  11.524
   32   1HE   LYS   4          1HE       LYS   4   7.414  -2.268  12.847
   33   2HE   LYS   4          2HE       LYS   4   6.799  -3.535  13.899
   34   1HZ   LYS   4          1HZ       LYS   4   8.969  -2.487  14.624
   35   2HZ   LYS   4          2HZ       LYS   4   9.014  -4.111  14.529
   36   3HZ   LYS   4          3HZ       LYS   4   9.689  -3.216  13.336
   37    HA   PRO   5           HA       PRO   5   5.518  -2.605   5.063
   38   1HB   PRO   5          1HB       PRO   5   2.885  -1.823   5.571
   39   2HB   PRO   5          2HB       PRO   5   3.408  -3.458   5.138
   40   1HG   PRO   5          1HG       PRO   5   2.598  -2.435   7.788
   41   2HG   PRO   5          2HG       PRO   5   2.612  -4.116   7.165
   42   1HD   PRO   5          1HD       PRO   5   4.465  -2.917   8.923
   43   2HD   PRO   5          2HD       PRO   5   4.650  -4.502   8.120
   44    H    GLU   6           H        GLU   6   7.041  -1.001   5.149
   45    HA   GLU   6           HA       GLU   6   6.746   1.465   6.377
   46   1HB   GLU   6          1HB       GLU   6   8.726   0.408   4.989
   47   2HB   GLU   6          2HB       GLU   6   8.019   1.300   3.634
   48   1HG   GLU   6          1HG       GLU   6   8.571   3.369   4.508
   49   2HG   GLU   6          2HG       GLU   6   8.354   2.857   6.172
   50    H    ALA   7           H        ALA   7   6.015   3.456   5.800
   51    HA   ALA   7           HA       ALA   7   4.614   4.097   3.413
   52   1HB   ALA   7          1HB       ALA   7   2.891   2.725   3.988
   53   2HB   ALA   7          2HB       ALA   7   3.040   2.999   5.736
   54   3HB   ALA   7          3HB       ALA   7   2.333   4.259   4.686
   55    HA   PRO   8           HA       PRO   8   5.482   7.959   5.719
   56   1HB   PRO   8          1HB       PRO   8   5.011   9.693   3.617
   57   2HB   PRO   8          2HB       PRO   8   6.517   8.776   3.846
   58   1HG   PRO   8          1HG       PRO   8   4.286   8.249   1.918
   59   2HG   PRO   8          2HG       PRO   8   6.032   7.908   1.764
   60   1HD   PRO   8          1HD       PRO   8   3.994   6.096   2.533
   61   2HD   PRO   8          2HD       PRO   8   5.754   5.808   2.616
   62    H    GLY   9           H        GLY   9   3.384   6.850   6.669
   63   1HA   GLY   9          1HA       GLY   9   0.814   8.053   6.145
   64   2HA   GLY   9          2HA       GLY   9   1.328   7.306   7.672
   65    H    GLU  10           H        GLU  10  -0.218   9.339   8.038
   66    HA   GLU  10           HA       GLU  10  -0.413  11.168   9.379
   67   1HB   GLU  10          1HB       GLU  10   2.044  10.492  10.089
   68   2HB   GLU  10          2HB       GLU  10   2.496  11.945   9.211
   69   1HG   GLU  10          1HG       GLU  10   1.798  13.289  10.880
   70   2HG   GLU  10          2HG       GLU  10   0.255  12.459  11.032
   71    H    ASP  11           H        ASP  11  -0.867  11.223   6.598
   72    HA   ASP  11           HA       ASP  11  -1.493  12.607   4.920
   73   1HB   ASP  11          1HB       ASP  11  -1.352  14.522   7.164
   74   2HB   ASP  11          2HB       ASP  11  -1.008  15.254   5.616
   75    H    ALA  12           H        ALA  12  -0.115  12.176   3.239
   76    HA   ALA  12           HA       ALA  12   2.149  14.023   2.876
   77   1HB   ALA  12          1HB       ALA  12   3.138  11.268   2.520
   78   2HB   ALA  12          2HB       ALA  12   3.834  12.649   3.381
   79   3HB   ALA  12          3HB       ALA  12   2.637  11.622   4.173
   80    H    SER  13           H        SER  13   0.079  14.246   1.465
   81    HA   SER  13           HA       SER  13  -0.195  14.882  -0.766
   82   1HB   SER  13          1HB       SER  13   0.803  13.990  -2.584
   83   2HB   SER  13          2HB       SER  13   1.926  13.386  -1.423
   84    HG   SER  13           HG       SER  13   1.372  11.582  -2.475
   85    HA   PRO  14           HA       PRO  14  -4.092  12.674  -1.147
   86   1HB   PRO  14          1HB       PRO  14  -4.689  12.727  -3.853
   87   2HB   PRO  14          2HB       PRO  14  -4.875  14.115  -2.746
   88   1HG   PRO  14          1HG       PRO  14  -2.785  13.634  -4.818
   89   2HG   PRO  14          2HG       PRO  14  -3.380  15.180  -4.141
   90   1HD   PRO  14          1HD       PRO  14  -1.025  13.758  -3.486
   91   2HD   PRO  14          2HD       PRO  14  -1.648  15.204  -2.638
   92    H    GLU  15           H        GLU  15  -1.475  11.630  -3.294
   93    HA   GLU  15           HA       GLU  15  -2.603   8.973  -3.768
   94   1HB   GLU  15          1HB       GLU  15  -0.602  10.595  -4.966
   95   2HB   GLU  15          2HB       GLU  15   0.266   9.224  -4.298
   96   1HG   GLU  15          1HG       GLU  15  -0.946   7.651  -5.610
   97   2HG   GLU  15          2HG       GLU  15  -2.231   8.799  -5.982
   98    H    GLU  16           H        GLU  16  -1.038  10.461  -1.088
   99    HA   GLU  16           HA       GLU  16   0.553   8.350  -0.119
  100   1HB   GLU  16          1HB       GLU  16  -0.004  10.781   0.812
  101   2HB   GLU  16          2HB       GLU  16  -1.112   9.918   1.850
  102   1HG   GLU  16          1HG       GLU  16   1.892   9.542   1.578
  103   2HG   GLU  16          2HG       GLU  16   0.995  10.173   2.968
  104    H    LEU  17           H        LEU  17  -2.898   8.988   0.782
  105    HA   LEU  17           HA       LEU  17  -3.178   6.555   2.205
  106   1HB   LEU  17          1HB       LEU  17  -5.193   8.321   0.758
  107   2HB   LEU  17          2HB       LEU  17  -5.688   6.833   1.546
  108    HG   LEU  17           HG       LEU  17  -6.141   8.604   3.020
  109   1HD1  LEU  17          1HD1      LEU  17  -4.812   6.403   3.836
  110   2HD1  LEU  17          2HD1      LEU  17  -3.677   7.634   4.417
  111   3HD1  LEU  17          3HD1      LEU  17  -5.374   7.662   4.948
  112   1HD2  LEU  17          1HD2      LEU  17  -3.231   9.478   3.085
  113   2HD2  LEU  17          2HD2      LEU  17  -4.482  10.260   2.091
  114   3HD2  LEU  17          3HD2      LEU  17  -4.634  10.238   3.858
  115    H    SER  18           H        SER  18  -3.578   7.175  -1.289
  116    HA   SER  18           HA       SER  18  -4.402   4.454  -1.854
  117   1HB   SER  18          1HB       SER  18  -4.279   4.951  -4.127
  118   2HB   SER  18          2HB       SER  18  -4.839   6.438  -3.343
  119    HG   SER  18           HG       SER  18  -2.176   5.929  -4.206
  120    H    ARG  19           H        ARG  19  -1.231   5.963  -1.351
  121    HA   ARG  19           HA       ARG  19   0.335   3.773  -2.400
  122   1HB   ARG  19          1HB       ARG  19   2.094   5.069  -1.918
  123   2HB   ARG  19          2HB       ARG  19   0.938   6.322  -1.653
  124   1HG   ARG  19          1HG       ARG  19   2.103   6.621   0.235
  125   2HG   ARG  19          2HG       ARG  19   1.053   5.405   0.910
  126   1HD   ARG  19          1HD       ARG  19   2.992   4.495   1.544
  127   2HD   ARG  19          2HD       ARG  19   2.872   3.728  -0.049
  128    HE   ARG  19           HE       ARG  19   4.134   6.354  -0.057
  129   1HH1  ARG  19          2HH2      ARG  19   4.839   2.989   0.434
  130   2HH1  ARG  19          1HH2      ARG  19   6.550   3.147   0.115
  131   1HH2  ARG  19          2HH1      ARG  19   6.307   6.583  -0.429
  132   2HH2  ARG  19          1HH1      ARG  19   7.387   5.189  -0.285
  133    H    TYR  20           H        TYR  20  -1.079   4.550   0.749
  134    HA   TYR  20           HA       TYR  20   0.284   2.429   2.115
  135   1HB   TYR  20          1HB       TYR  20  -0.689   4.533   3.153
  136   2HB   TYR  20          2HB       TYR  20  -2.290   3.851   2.936
  137    HD1  TYR  20           1HD      TYR  20  -3.063   3.530   5.174
  138    HD2  TYR  20           2HD      TYR  20   0.865   2.145   4.083
  139    HE1  TYR  20           1HE      TYR  20  -2.780   2.520   7.420
  140    HE2  TYR  20           2HE      TYR  20   1.184   1.198   6.340
  141    HH   TYR  20           HH       TYR  20  -1.378   1.316   8.808
  142    H    TYR  21           H        TYR  21  -3.067   2.771   0.986
  143    HA   TYR  21           HA       TYR  21  -3.925   0.121   1.633
  144   1HB   TYR  21          1HB       TYR  21  -4.936   2.300  -0.208
  145   2HB   TYR  21          2HB       TYR  21  -5.733   0.746  -0.091
  146    HD1  TYR  21           1HD      TYR  21  -4.411   3.333   2.389
  147    HD2  TYR  21           2HD      TYR  21  -7.589   0.643   1.290
  148    HE1  TYR  21           1HE      TYR  21  -5.739   4.192   4.243
  149    HE2  TYR  21           2HE      TYR  21  -8.932   1.498   3.207
  150    HH   TYR  21           HH       TYR  21  -7.888   4.307   5.098
  151    H    ALA  22           H        ALA  22  -2.496   1.498  -1.382
  152    HA   ALA  22           HA       ALA  22  -2.736  -0.890  -2.929
  153   1HB   ALA  22          1HB       ALA  22  -0.997   0.139  -4.360
  154   2HB   ALA  22          2HB       ALA  22  -2.306   1.267  -3.979
  155   3HB   ALA  22          3HB       ALA  22  -0.741   1.388  -3.135
  156    H    SER  23           H        SER  23   0.050   0.434  -1.005
  157    HA   SER  23           HA       SER  23   1.712  -1.815  -1.468
  158   1HB   SER  23          1HB       SER  23   2.152   0.558  -0.187
  159   2HB   SER  23          2HB       SER  23   2.018  -0.528   1.203
  160    HG   SER  23           HG       SER  23   3.817  -0.493  -0.950
  161    H    LEU  24           H        LEU  24  -0.708  -1.246   1.130
  162    HA   LEU  24           HA       LEU  24  -0.301  -3.566   2.660
  163   1HB   LEU  24          1HB       LEU  24  -2.697  -1.841   2.034
  164   2HB   LEU  24          2HB       LEU  24  -2.922  -3.318   2.958
  165    HG   LEU  24           HG       LEU  24  -0.827  -1.347   3.848
  166   1HD1  LEU  24          1HD1      LEU  24  -2.870  -0.011   3.643
  167   2HD1  LEU  24          2HD1      LEU  24  -3.813  -1.265   4.478
  168   3HD1  LEU  24          3HD1      LEU  24  -2.562  -0.351   5.342
  169   1HD2  LEU  24          1HD2      LEU  24  -1.016  -3.694   4.814
  170   2HD2  LEU  24          2HD2      LEU  24  -1.211  -2.389   5.996
  171   3HD2  LEU  24          3HD2      LEU  24  -2.639  -3.253   5.383
  172    H    ARG  25           H        ARG  25  -2.561  -3.238  -0.146
  173    HA   ARG  25           HA       ARG  25  -3.277  -6.031  -0.140
  174   1HB   ARG  25          1HB       ARG  25  -3.923  -3.730  -1.741
  175   2HB   ARG  25          2HB       ARG  25  -3.253  -4.931  -2.840
  176   1HG   ARG  25          1HG       ARG  25  -4.895  -6.601  -1.575
  177   2HG   ARG  25          2HG       ARG  25  -5.693  -5.105  -1.063
  178   1HD   ARG  25          1HD       ARG  25  -5.299  -4.695  -3.799
  179   2HD   ARG  25          2HD       ARG  25  -5.573  -6.449  -3.710
  180    HE   ARG  25           HE       ARG  25  -7.551  -5.130  -2.159
  181   1HH1  ARG  25          2HH2      ARG  25  -6.706  -5.391  -5.534
  182   2HH1  ARG  25          1HH2      ARG  25  -8.335  -5.161  -6.095
  183   1HH2  ARG  25          2HH1      ARG  25  -9.605  -4.671  -2.902
  184   2HH2  ARG  25          1HH1      ARG  25  -9.952  -4.769  -4.601
  185    H    HIS  26           H        HIS  26  -0.634  -4.269  -1.709
  186    HA   HIS  26           HA       HIS  26   0.411  -6.568  -3.095
  187   1HB   HIS  26          1HB       HIS  26   0.826  -3.894  -3.292
  188   2HB   HIS  26          2HB       HIS  26   2.221  -4.318  -2.318
  189    HD1  HIS  26           1HD      HIS  26   4.270  -4.762  -3.933
  190    HE1  HIS  26           1HE      HIS  26   2.212  -6.422  -7.263
  191    H    TYR  27           H        TYR  27   0.806  -5.378   0.167
  192    HA   TYR  27           HA       TYR  27   3.043  -6.907   1.001
  193   1HB   TYR  27          1HB       TYR  27   1.435  -4.894   2.078
  194   2HB   TYR  27          2HB       TYR  27   0.998  -6.254   3.052
  195    HD1  TYR  27           1HD      TYR  27   3.802  -4.154   1.846
  196    HD2  TYR  27           2HD      TYR  27   2.454  -7.057   4.705
  197    HE1  TYR  27           1HE      TYR  27   5.853  -3.771   3.213
  198    HE2  TYR  27           2HE      TYR  27   4.567  -6.779   6.013
  199    HH   TYR  27           HH       TYR  27   7.349  -5.467   4.979
  200    H    LEU  28           H        LEU  28  -0.452  -7.391   1.400
  201    HA   LEU  28           HA       LEU  28  -0.428  -9.979   2.594
  202   1HB   LEU  28          1HB       LEU  28  -2.489  -8.904   2.611
  203   2HB   LEU  28          2HB       LEU  28  -2.352  -8.353   0.961
  204    HG   LEU  28           HG       LEU  28  -2.777 -10.674   0.128
  205   1HD1  LEU  28          1HD1      LEU  28  -4.083 -11.989   2.174
  206   2HD1  LEU  28          2HD1      LEU  28  -2.466 -12.379   1.587
  207   3HD1  LEU  28          3HD1      LEU  28  -2.668 -11.347   3.010
  208   1HD2  LEU  28          1HD2      LEU  28  -5.133 -10.610   0.499
  209   2HD2  LEU  28          2HD2      LEU  28  -4.924  -9.590   1.940
  210   3HD2  LEU  28          3HD2      LEU  28  -4.516  -8.963   0.319
  211    H    ASN  29           H        ASN  29  -0.404  -9.064  -0.889
  212    HA   ASN  29           HA       ASN  29  -0.158 -11.861  -1.699
  213   1HB   ASN  29          1HB       ASN  29  -0.650  -9.284  -2.963
  214   2HB   ASN  29          2HB       ASN  29   0.670 -10.083  -3.808
  215   1HD2  ASN  29          1HD2      ASN  29  -1.960  -9.544  -4.895
  216   2HD2  ASN  29          2HD2      ASN  29  -2.606 -11.163  -5.236
  217    H    LEU  30           H        LEU  30   2.143  -9.667  -0.479
  218    HA   LEU  30           HA       LEU  30   4.461 -10.880  -1.824
  219   1HB   LEU  30          1HB       LEU  30   4.830  -8.661  -1.539
  220   2HB   LEU  30          2HB       LEU  30   3.894  -8.531  -0.088
  221    HG   LEU  30           HG       LEU  30   6.392 -10.056   0.340
  222   1HD1  LEU  30          1HD1      LEU  30   7.797  -8.047   0.341
  223   2HD1  LEU  30          2HD1      LEU  30   7.243  -8.486  -1.280
  224   3HD1  LEU  30          3HD1      LEU  30   6.470  -7.128  -0.441
  225   1HD2  LEU  30          1HD2      LEU  30   5.397  -7.551   1.749
  226   2HD2  LEU  30          2HD2      LEU  30   4.686  -9.110   2.071
  227   3HD2  LEU  30          3HD2      LEU  30   6.395  -8.883   2.391
  228    H    VAL  31           H        VAL  31   2.912 -10.925   1.371
  229    HA   VAL  31           HA       VAL  31   4.739 -13.131   2.249
  230    HB   VAL  31           HB       VAL  31   2.995 -11.116   3.642
  231   1HG1  VAL  31          1HG1      VAL  31   4.035 -13.648   4.957
  232   2HG1  VAL  31          2HG1      VAL  31   3.567 -12.179   5.841
  233   3HG1  VAL  31          3HG1      VAL  31   2.363 -13.049   4.898
  234   1HG2  VAL  31          1HG2      VAL  31   5.673 -11.165   3.007
  235   2HG2  VAL  31          2HG2      VAL  31   4.974 -10.259   4.365
  236   3HG2  VAL  31          3HG2      VAL  31   5.713 -11.856   4.626
  237    H    THR  32           H        THR  32   1.661 -12.823   0.840
  238    HA   THR  32           HA       THR  32  -0.127 -14.134   0.583
  239    HB   THR  32           HB       THR  32   1.222 -15.353  -0.850
  240    HG1  THR  32           1HG      THR  32  -0.177 -16.918   0.996
  241   1HG2  THR  32          1HG2      THR  32   3.242 -15.815   0.376
  242   2HG2  THR  32          2HG2      THR  32   2.371 -16.849   1.534
  243   3HG2  THR  32          3HG2      THR  32   2.558 -17.349  -0.160
  244    H    ARG  33           H        ARG  33   0.482 -13.416   3.286
  245    HA   ARG  33           HA       ARG  33  -1.317 -15.158   4.790
  246   1HB   ARG  33          1HB       ARG  33   1.069 -16.299   4.592
  247   2HB   ARG  33          2HB       ARG  33   1.563 -15.125   5.791
  248   1HG   ARG  33          1HG       ARG  33  -0.979 -16.336   6.590
  249   2HG   ARG  33          2HG       ARG  33   0.138 -17.604   6.100
  250   1HD   ARG  33          1HD       ARG  33   1.855 -16.479   7.664
  251   2HD   ARG  33          2HD       ARG  33   0.509 -15.535   8.303
  252    HE   ARG  33           HE       ARG  33   1.119 -18.335   8.777
  253   1HH1  ARG  33          2HH2      ARG  33  -1.613 -16.188   8.572
  254   2HH1  ARG  33          1HH2      ARG  33  -2.653 -17.217   9.525
  255   1HH2  ARG  33          2HH1      ARG  33  -0.190 -19.601  10.071
  256   2HH2  ARG  33          1HH1      ARG  33  -1.831 -19.135  10.368
  257    H    GLN  34           H        GLN  34  -1.338 -12.380   4.296
  258    HA   GLN  34           HA       GLN  34  -1.072 -11.321   7.061
  259   1HB   GLN  34          1HB       GLN  34   0.811 -10.732   5.237
  260   2HB   GLN  34          2HB       GLN  34  -0.317  -9.442   4.840
  261   1HG   GLN  34          1HG       GLN  34  -0.218  -8.526   7.041
  262   2HG   GLN  34          2HG       GLN  34   0.472 -10.003   7.728
  263   1HE2  GLN  34          1HE2      GLN  34   1.705  -7.598   8.344
  264   2HE2  GLN  34          2HE2      GLN  34   3.256  -7.653   7.503
  265    H    ARG  35           H        ARG  35  -3.238 -11.624   7.353
  266    HA   ARG  35           HA       ARG  35  -5.426 -10.978   5.832
  267   1HB   ARG  35          1HB       ARG  35  -4.956 -10.702   8.817
  268   2HB   ARG  35          2HB       ARG  35  -6.500 -10.229   8.090
  269   1HG   ARG  35          1HG       ARG  35  -6.821 -12.446   7.124
  270   2HG   ARG  35          2HG       ARG  35  -5.285 -13.008   7.795
  271   1HD   ARG  35          1HD       ARG  35  -7.114 -11.750   9.789
  272   2HD   ARG  35          2HD       ARG  35  -7.782 -13.179   8.995
  273    HE   ARG  35           HE       ARG  35  -5.061 -13.572   9.954
  274   1HH1  ARG  35          2HH2      ARG  35  -8.415 -13.741  10.935
  275   2HH1  ARG  35          1HH2      ARG  35  -8.101 -14.814  12.266
  276   1HH2  ARG  35          2HH1      ARG  35  -4.682 -15.003  11.648
  277   2HH2  ARG  35          1HH1      ARG  35  -6.001 -15.553  12.627
  278    H    TYR  36           H        TYR  36  -6.170  -9.319   4.819
  279    HA   TYR  36           HA       TYR  36  -4.944  -6.714   5.018
  280   1HB   TYR  36          1HB       TYR  36  -5.688  -7.803   2.922
  281   2HB   TYR  36          2HB       TYR  36  -7.360  -7.700   3.452
  282    HD1  TYR  36           1HD      TYR  36  -4.362  -5.769   2.377
  283    HD2  TYR  36           2HD      TYR  36  -8.585  -5.613   3.269
  284    HE1  TYR  36           1HE      TYR  36  -4.513  -3.497   1.354
  285    HE2  TYR  36           2HE      TYR  36  -8.698  -3.311   2.286
  286    HH   TYR  36           HH       TYR  36  -5.791  -1.688   0.982
  287   1HN   NH2  37          NH1       NHE  37  -6.229  -4.632   5.322
  288   2HN   NH2  37          NH2       NHE  37  -7.510  -4.701   6.524
  Start of MODEL   15
    1   1H    TYR   1          1H        TYR   1  14.965 -11.444   7.397
    2   2H    TYR   1          2H        TYR   1  14.490 -12.874   6.742
    3   3H    TYR   1          3H        TYR   1  14.129 -11.432   5.996
    4    HA   TYR   1           HA       TYR   1  12.390 -12.737   7.484
    5   1HB   TYR   1          1HB       TYR   1  14.184 -11.160   9.305
    6   2HB   TYR   1          2HB       TYR   1  12.473 -11.079   9.630
    7    HD1  TYR   1           1HD      TYR   1  15.381 -12.900  10.420
    8    HD2  TYR   1           2HD      TYR   1  11.183 -13.498   9.566
    9    HE1  TYR   1           1HE      TYR   1  15.424 -15.080  11.592
   10    HE2  TYR   1           2HE      TYR   1  11.252 -15.653  10.728
   11    HH   TYR   1           HH       TYR   1  14.227 -17.108  11.866
   12    HA   PRO   2           HA       PRO   2  10.064  -9.242   6.024
   13   1HB   PRO   2          1HB       PRO   2   7.880  -9.157   7.738
   14   2HB   PRO   2          2HB       PRO   2   8.066 -10.299   6.381
   15   1HG   PRO   2          1HG       PRO   2   8.347 -10.808   9.300
   16   2HG   PRO   2          2HG       PRO   2   7.923 -11.941   7.979
   17   1HD   PRO   2          1HD       PRO   2  10.438 -11.552   9.251
   18   2HD   PRO   2          2HD       PRO   2  10.112 -12.594   7.823
   19    H    ALA   3           H        ALA   3   9.216  -7.115   6.740
   20    HA   ALA   3           HA       ALA   3  10.206  -6.067   9.286
   21   1HB   ALA   3          1HB       ALA   3  12.047  -5.234   8.230
   22   2HB   ALA   3          2HB       ALA   3  11.387  -5.469   6.607
   23   3HB   ALA   3          3HB       ALA   3  10.925  -4.038   7.542
   24    H    LYS   4           H        LYS   4   9.145  -4.048   9.766
   25    HA   LYS   4           HA       LYS   4   6.412  -3.917   9.311
   26   1HB   LYS   4          1HB       LYS   4   6.642  -1.514  10.110
   27   2HB   LYS   4          2HB       LYS   4   7.283  -2.768  11.149
   28   1HG   LYS   4          1HG       LYS   4   8.718  -0.786  11.098
   29   2HG   LYS   4          2HG       LYS   4   9.581  -2.217  10.540
   30   1HD   LYS   4          1HD       LYS   4   9.691  -1.490   8.344
   31   2HD   LYS   4          2HD       LYS   4   8.251  -0.464   8.501
   32   1HE   LYS   4          1HE       LYS   4   9.395   1.235   9.637
   33   2HE   LYS   4          2HE       LYS   4  10.855   0.240   9.849
   34   1HZ   LYS   4          1HZ       LYS   4  10.991   1.825   7.933
   35   2HZ   LYS   4          2HZ       LYS   4  11.166   0.254   7.485
   36   3HZ   LYS   4          3HZ       LYS   4   9.745   1.020   7.221
   37    HA   PRO   5           HA       PRO   5   5.876  -2.214   5.280
   38   1HB   PRO   5          1HB       PRO   5   3.510  -0.808   5.514
   39   2HB   PRO   5          2HB       PRO   5   3.654  -2.577   5.327
   40   1HG   PRO   5          1HG       PRO   5   2.989  -1.014   7.772
   41   2HG   PRO   5          2HG       PRO   5   2.586  -2.708   7.354
   42   1HD   PRO   5          1HD       PRO   5   4.661  -1.782   9.076
   43   2HD   PRO   5          2HD       PRO   5   4.409  -3.458   8.516
   44    H    GLU   6           H        GLU   6   5.624  -0.175   4.050
   45    HA   GLU   6           HA       GLU   6   7.531   1.702   4.929
   46   1HB   GLU   6          1HB       GLU   6   6.502   1.119   2.568
   47   2HB   GLU   6          2HB       GLU   6   5.388   2.430   2.923
   48   1HG   GLU   6          1HG       GLU   6   6.938   4.043   2.667
   49   2HG   GLU   6          2HG       GLU   6   8.196   3.180   3.524
   50    H    ALA   7           H        ALA   7   7.290   3.969   5.435
   51    HA   ALA   7           HA       ALA   7   4.781   4.758   6.756
   52   1HB   ALA   7          1HB       ALA   7   5.710   3.664   8.564
   53   2HB   ALA   7          2HB       ALA   7   7.371   4.188   8.188
   54   3HB   ALA   7          3HB       ALA   7   6.176   5.358   8.812
   55    HA   PRO   8           HA       PRO   8   6.671   8.364   4.707
   56   1HB   PRO   8          1HB       PRO   8   4.358   9.802   4.416
   57   2HB   PRO   8          2HB       PRO   8   4.862   8.494   3.317
   58   1HG   PRO   8          1HG       PRO   8   2.749   8.422   5.451
   59   2HG   PRO   8          2HG       PRO   8   2.830   7.498   3.934
   60   1HD   PRO   8          1HD       PRO   8   3.521   6.564   6.470
   61   2HD   PRO   8          2HD       PRO   8   3.904   5.785   4.905
   62    H    GLY   9           H        GLY   9   7.224  10.409   5.482
   63   1HA   GLY   9          1HA       GLY   9   6.257  11.269   8.164
   64   2HA   GLY   9          2HA       GLY   9   7.972  10.910   7.904
   65    H    GLU  10           H        GLU  10   5.917  13.377   8.137
   66    HA   GLU  10           HA       GLU  10   5.672  15.516   7.462
   67   1HB   GLU  10          1HB       GLU  10   8.152  15.292   8.287
   68   2HB   GLU  10          2HB       GLU  10   8.553  15.634   6.602
   69   1HG   GLU  10          1HG       GLU  10   7.206  17.751   6.757
   70   2HG   GLU  10          2HG       GLU  10   6.786  17.344   8.421
   71    H    ASP  11           H        ASP  11   5.795  13.287   5.311
   72    HA   ASP  11           HA       ASP  11   5.221  14.972   2.938
   73   1HB   ASP  11          1HB       ASP  11   7.641  13.551   3.386
   74   2HB   ASP  11          2HB       ASP  11   6.708  12.469   2.378
   75    H    ALA  12           H        ALA  12   3.745  13.145   4.992
   76    HA   ALA  12           HA       ALA  12   2.637  10.958   3.429
   77   1HB   ALA  12          1HB       ALA  12   2.935  10.930   5.956
   78   2HB   ALA  12          2HB       ALA  12   1.612  12.110   6.056
   79   3HB   ALA  12          3HB       ALA  12   1.310  10.499   5.374
   80    H    SER  13           H        SER  13   2.312  12.563   1.683
   81    HA   SER  13           HA       SER  13   0.238  14.490   1.673
   82   1HB   SER  13          1HB       SER  13   0.846  14.777  -0.497
   83   2HB   SER  13          2HB       SER  13   2.199  13.739  -0.063
   84    HG   SER  13           HG       SER  13   1.211  12.931  -1.917
   85    HA   PRO  14           HA       PRO  14  -3.511  12.190   1.251
   86   1HB   PRO  14          1HB       PRO  14  -4.856  13.249  -0.924
   87   2HB   PRO  14          2HB       PRO  14  -4.740  14.019   0.683
   88   1HG   PRO  14          1HG       PRO  14  -3.294  14.721  -1.841
   89   2HG   PRO  14          2HG       PRO  14  -3.738  15.766  -0.457
   90   1HD   PRO  14          1HD       PRO  14  -1.246  14.598  -1.023
   91   2HD   PRO  14          2HD       PRO  14  -1.676  15.419   0.501
   92    H    GLU  15           H        GLU  15  -1.301  12.212  -1.463
   93    HA   GLU  15           HA       GLU  15  -2.586   9.981  -2.866
   94   1HB   GLU  15          1HB       GLU  15  -0.677  11.966  -3.494
   95   2HB   GLU  15          2HB       GLU  15   0.225  10.447  -3.523
   96   1HG   GLU  15          1HG       GLU  15  -1.346   9.460  -5.077
   97   2HG   GLU  15          2HG       GLU  15  -2.448  10.833  -4.920
   98    H    GLU  16           H        GLU  16  -0.405  10.381  -0.183
   99    HA   GLU  16           HA       GLU  16   0.910   7.850  -0.367
  100   1HB   GLU  16          1HB       GLU  16   1.088  10.138   1.239
  101   2HB   GLU  16          2HB       GLU  16   0.497   8.910   2.353
  102   1HG   GLU  16          1HG       GLU  16   2.912   9.083   2.329
  103   2HG   GLU  16          2HG       GLU  16   2.384   7.477   1.823
  104    H    LEU  17           H        LEU  17  -2.229   8.821   1.025
  105    HA   LEU  17           HA       LEU  17  -2.770   6.362   2.381
  106   1HB   LEU  17          1HB       LEU  17  -4.305   8.716   1.464
  107   2HB   LEU  17          2HB       LEU  17  -5.199   7.217   1.224
  108    HG   LEU  17           HG       LEU  17  -4.648   6.587   3.609
  109   1HD1  LEU  17          1HD1      LEU  17  -2.754   8.355   3.797
  110   2HD1  LEU  17          2HD1      LEU  17  -4.048   9.535   4.049
  111   3HD1  LEU  17          3HD1      LEU  17  -3.846   8.172   5.174
  112   1HD2  LEU  17          1HD2      LEU  17  -6.247   9.049   3.962
  113   2HD2  LEU  17          2HD2      LEU  17  -6.748   8.079   2.578
  114   3HD2  LEU  17          3HD2      LEU  17  -6.686   7.342   4.184
  115    H    SER  18           H        SER  18  -3.209   7.247  -1.036
  116    HA   SER  18           HA       SER  18  -4.301   4.733  -1.905
  117   1HB   SER  18          1HB       SER  18  -2.637   6.622  -3.613
  118   2HB   SER  18          2HB       SER  18  -3.891   5.485  -4.122
  119    HG   SER  18           HG       SER  18  -4.132   8.037  -3.315
  120    H    ARG  19           H        ARG  19  -1.010   5.867  -1.293
  121    HA   ARG  19           HA       ARG  19   0.330   3.638  -2.602
  122   1HB   ARG  19          1HB       ARG  19   2.211   4.720  -2.051
  123   2HB   ARG  19          2HB       ARG  19   1.175   6.042  -1.608
  124   1HG   ARG  19          1HG       ARG  19   2.322   5.950   0.338
  125   2HG   ARG  19          2HG       ARG  19   1.253   4.719   0.827
  126   1HD   ARG  19          1HD       ARG  19   3.059   3.519   1.226
  127   2HD   ARG  19          2HD       ARG  19   3.024   3.187  -0.514
  128    HE   ARG  19           HE       ARG  19   4.350   5.714   0.203
  129   1HH1  ARG  19          2HH2      ARG  19   4.844   2.298  -0.500
  130   2HH1  ARG  19          1HH2      ARG  19   6.582   2.374  -0.245
  131   1HH2  ARG  19          2HH1      ARG  19   6.528   5.839   0.238
  132   2HH2  ARG  19          1HH1      ARG  19   7.566   4.426   0.064
  133    H    TYR  20           H        TYR  20  -1.071   4.201   0.579
  134    HA   TYR  20           HA       TYR  20   0.192   1.879   1.784
  135   1HB   TYR  20          1HB       TYR  20  -0.456   4.044   2.957
  136   2HB   TYR  20          2HB       TYR  20  -2.134   3.533   2.841
  137    HD1  TYR  20           1HD      TYR  20  -3.017   2.538   4.785
  138    HD2  TYR  20           2HD      TYR  20   1.187   2.073   3.926
  139    HE1  TYR  20           1HE      TYR  20  -2.690   1.377   6.963
  140    HE2  TYR  20           2HE      TYR  20   1.504   0.912   6.085
  141    HH   TYR  20           HH       TYR  20   0.530   0.519   8.155
  142    H    TYR  21           H        TYR  21  -3.189   2.708   0.897
  143    HA   TYR  21           HA       TYR  21  -4.390   0.195   1.417
  144   1HB   TYR  21          1HB       TYR  21  -4.947   2.526  -0.408
  145   2HB   TYR  21          2HB       TYR  21  -5.853   1.043  -0.665
  146    HD1  TYR  21           1HD      TYR  21  -7.014  -0.059   1.360
  147    HD2  TYR  21           2HD      TYR  21  -5.729   4.055   1.260
  148    HE1  TYR  21           1HE      TYR  21  -8.660   0.499   3.150
  149    HE2  TYR  21           2HE      TYR  21  -7.375   4.614   3.045
  150    HH   TYR  21           HH       TYR  21  -9.074   2.253   4.862
  151    H    ALA  22           H        ALA  22  -3.031   1.343  -1.745
  152    HA   ALA  22           HA       ALA  22  -3.456  -1.188  -3.016
  153   1HB   ALA  22          1HB       ALA  22  -2.883   1.292  -3.936
  154   2HB   ALA  22          2HB       ALA  22  -1.263   0.578  -4.009
  155   3HB   ALA  22          3HB       ALA  22  -2.618  -0.174  -4.870
  156    H    SER  23           H        SER  23  -0.647   0.199  -1.226
  157    HA   SER  23           HA       SER  23   1.128  -1.973  -1.673
  158   1HB   SER  23          1HB       SER  23   2.043   0.023  -0.792
  159   2HB   SER  23          2HB       SER  23   0.964   0.001   0.621
  160    HG   SER  23           HG       SER  23   2.658  -2.167   0.151
  161    H    LEU  24           H        LEU  24  -1.332  -1.522   0.933
  162    HA   LEU  24           HA       LEU  24  -0.686  -3.704   2.558
  163   1HB   LEU  24          1HB       LEU  24  -3.288  -2.324   1.869
  164   2HB   LEU  24          2HB       LEU  24  -3.295  -3.708   2.938
  165    HG   LEU  24           HG       LEU  24  -1.650  -1.201   3.492
  166   1HD1  LEU  24          1HD1      LEU  24  -3.401  -0.476   4.929
  167   2HD1  LEU  24          2HD1      LEU  24  -4.195  -0.891   3.415
  168   3HD1  LEU  24          3HD1      LEU  24  -4.279  -2.013   4.788
  169   1HD2  LEU  24          1HD2      LEU  24  -0.658  -2.877   4.758
  170   2HD2  LEU  24          2HD2      LEU  24  -1.881  -2.253   5.875
  171   3HD2  LEU  24          3HD2      LEU  24  -2.176  -3.767   4.995
  172    H    ARG  25           H        ARG  25  -3.014  -3.701  -0.151
  173    HA   ARG  25           HA       ARG  25  -3.423  -6.552  -0.134
  174   1HB   ARG  25          1HB       ARG  25  -4.344  -4.310  -1.673
  175   2HB   ARG  25          2HB       ARG  25  -3.602  -5.390  -2.830
  176   1HG   ARG  25          1HG       ARG  25  -5.364  -6.746  -2.809
  177   2HG   ARG  25          2HG       ARG  25  -5.226  -7.038  -1.078
  178   1HD   ARG  25          1HD       ARG  25  -6.636  -5.181  -0.525
  179   2HD   ARG  25          2HD       ARG  25  -6.514  -4.511  -2.153
  180    HE   ARG  25           HE       ARG  25  -8.038  -6.016  -2.979
  181   1HH1  ARG  25          2HH2      ARG  25  -7.379  -6.937   0.331
  182   2HH1  ARG  25          1HH2      ARG  25  -8.675  -8.112   0.380
  183   1HH2  ARG  25          2HH1      ARG  25  -9.696  -7.460  -2.868
  184   2HH2  ARG  25          1HH1      ARG  25 -10.014  -8.341  -1.389
  185    H    HIS  26           H        HIS  26  -1.114  -4.512  -1.926
  186    HA   HIS  26           HA       HIS  26   0.122  -6.661  -3.311
  187   1HB   HIS  26          1HB       HIS  26   0.292  -4.056  -3.608
  188   2HB   HIS  26          2HB       HIS  26   1.668  -4.187  -2.509
  189    HD1  HIS  26           1HD      HIS  26   1.550  -3.529  -5.840
  190    HE1  HIS  26           1HE      HIS  26   3.766  -7.148  -6.111
  191    H    TYR  27           H        TYR  27   0.559  -5.509  -0.040
  192    HA   TYR  27           HA       TYR  27   2.943  -6.859   0.721
  193   1HB   TYR  27          1HB       TYR  27   1.145  -4.967   1.863
  194   2HB   TYR  27          2HB       TYR  27   1.024  -6.335   2.904
  195    HD1  TYR  27           1HD      TYR  27   2.739  -6.829   4.469
  196    HD2  TYR  27           2HD      TYR  27   3.370  -3.924   1.352
  197    HE1  TYR  27           1HE      TYR  27   4.915  -6.154   5.521
  198    HE2  TYR  27           2HE      TYR  27   5.527  -3.252   2.388
  199    HH   TYR  27           HH       TYR  27   7.036  -3.678   4.119
  200    H    LEU  28           H        LEU  28  -0.501  -7.535   1.345
  201    HA   LEU  28           HA       LEU  28  -0.190 -10.110   2.553
  202   1HB   LEU  28          1HB       LEU  28  -2.305  -9.237   2.833
  203   2HB   LEU  28          2HB       LEU  28  -2.376  -8.563   1.215
  204    HG   LEU  28           HG       LEU  28  -2.717 -10.899   0.294
  205   1HD1  LEU  28          1HD1      LEU  28  -2.102 -12.517   1.827
  206   2HD1  LEU  28          2HD1      LEU  28  -2.642 -11.570   3.233
  207   3HD1  LEU  28          3HD1      LEU  28  -3.819 -12.406   2.210
  208   1HD2  LEU  28          1HD2      LEU  28  -4.812  -9.906   2.235
  209   2HD2  LEU  28          2HD2      LEU  28  -4.503  -9.262   0.599
  210   3HD2  LEU  28          3HD2      LEU  28  -5.050 -10.930   0.793
  211    H    ASN  29           H        ASN  29  -0.495  -9.171  -0.922
  212    HA   ASN  29           HA       ASN  29  -0.315 -11.891  -1.829
  213   1HB   ASN  29          1HB       ASN  29  -1.066  -9.601  -3.016
  214   2HB   ASN  29          2HB       ASN  29   0.616  -9.616  -3.570
  215   1HD2  ASN  29          1HD2      ASN  29   0.895 -10.776  -5.543
  216   2HD2  ASN  29          2HD2      ASN  29  -0.262 -12.016  -6.023
  217    H    LEU  30           H        LEU  30   2.091  -9.874  -0.534
  218    HA   LEU  30           HA       LEU  30   4.362 -11.113  -1.915
  219   1HB   LEU  30          1HB       LEU  30   3.823  -8.579  -0.619
  220   2HB   LEU  30          2HB       LEU  30   5.043  -9.340   0.321
  221    HG   LEU  30           HG       LEU  30   5.871  -9.723  -2.391
  222   1HD1  LEU  30          1HD1      LEU  30   6.034  -7.241  -3.043
  223   2HD1  LEU  30          2HD1      LEU  30   4.467  -8.043  -3.254
  224   3HD1  LEU  30          3HD1      LEU  30   4.735  -6.954  -1.877
  225   1HD2  LEU  30          1HD2      LEU  30   7.204  -9.248  -0.199
  226   2HD2  LEU  30          2HD2      LEU  30   7.807  -8.672  -1.750
  227   3HD2  LEU  30          3HD2      LEU  30   6.996  -7.538  -0.650
  228    H    VAL  31           H        VAL  31   3.425 -10.553   1.508
  229    HA   VAL  31           HA       VAL  31   5.186 -12.686   2.457
  230    HB   VAL  31           HB       VAL  31   2.949 -11.292   3.966
  231   1HG1  VAL  31          1HG1      VAL  31   4.611 -13.430   4.837
  232   2HG1  VAL  31          2HG1      VAL  31   5.328 -11.999   5.544
  233   3HG1  VAL  31          3HG1      VAL  31   3.611 -12.370   5.830
  234   1HG2  VAL  31          1HG2      VAL  31   4.446  -9.560   3.137
  235   2HG2  VAL  31          2HG2      VAL  31   4.779  -9.801   4.851
  236   3HG2  VAL  31          3HG2      VAL  31   5.873 -10.499   3.638
  237    H    THR  32           H        THR  32   1.976 -12.610   1.157
  238    HA   THR  32           HA       THR  32   0.324 -14.119   0.906
  239    HB   THR  32           HB       THR  32   1.892 -14.831  -0.674
  240    HG1  THR  32           1HG      THR  32  -0.001 -16.315   0.122
  241   1HG2  THR  32          1HG2      THR  32   3.881 -15.360   0.526
  242   2HG2  THR  32          2HG2      THR  32   3.087 -16.692   1.394
  243   3HG2  THR  32          3HG2      THR  32   3.380 -16.794  -0.359
  244    H    ARG  33           H        ARG  33   1.129 -13.609   3.576
  245    HA   ARG  33           HA       ARG  33  -0.425 -15.427   5.210
  246   1HB   ARG  33          1HB       ARG  33   1.656 -16.808   4.688
  247   2HB   ARG  33          2HB       ARG  33   2.613 -15.546   5.460
  248   1HG   ARG  33          1HG       ARG  33   0.562 -16.163   7.342
  249   2HG   ARG  33          2HG       ARG  33   0.962 -17.721   6.641
  250   1HD   ARG  33          1HD       ARG  33   3.212 -17.592   7.348
  251   2HD   ARG  33          2HD       ARG  33   3.160 -15.826   7.542
  252    HE   ARG  33           HE       ARG  33   1.326 -16.580   9.364
  253   1HH1  ARG  33          2HH2      ARG  33   4.648 -17.444   8.900
  254   2HH1  ARG  33          1HH2      ARG  33   4.977 -17.720  10.584
  255   1HH2  ARG  33          2HH1      ARG  33   1.674 -17.008  11.528
  256   2HH2  ARG  33          1HH1      ARG  33   3.273 -17.461  12.058
  257    H    GLN  34           H        GLN  34  -0.695 -12.744   4.970
  258    HA   GLN  34           HA       GLN  34   0.486 -11.620   7.486
  259   1HB   GLN  34          1HB       GLN  34   1.073 -10.201   5.713
  260   2HB   GLN  34          2HB       GLN  34  -0.531 -10.255   4.984
  261   1HG   GLN  34          1HG       GLN  34  -0.514  -9.227   7.794
  262   2HG   GLN  34          2HG       GLN  34   0.437  -8.271   6.671
  263   1HE2  GLN  34          1HE2      GLN  34  -2.929  -9.641   7.049
  264   2HE2  GLN  34          2HE2      GLN  34  -3.609  -8.289   6.155
  265    H    ARG  35           H        ARG  35  -0.817 -11.839   9.183
  266    HA   ARG  35           HA       ARG  35  -3.617 -11.015   8.925
  267   1HB   ARG  35          1HB       ARG  35  -3.830 -13.365   8.545
  268   2HB   ARG  35          2HB       ARG  35  -2.774 -13.784   9.884
  269   1HG   ARG  35          1HG       ARG  35  -5.277 -12.183  10.447
  270   2HG   ARG  35          2HG       ARG  35  -5.435 -13.889  10.081
  271   1HD   ARG  35          1HD       ARG  35  -3.350 -13.111  12.137
  272   2HD   ARG  35          2HD       ARG  35  -5.046 -13.005  12.599
  273    HE   ARG  35           HE       ARG  35  -3.493 -15.422  12.139
  274   1HH1  ARG  35          2HH2      ARG  35  -6.717 -14.089  12.233
  275   2HH1  ARG  35          1HH2      ARG  35  -7.516 -15.631  12.328
  276   1HH2  ARG  35          2HH1      ARG  35  -4.506 -17.402  12.431
  277   2HH2  ARG  35          1HH1      ARG  35  -6.230 -17.477  12.628
  278    H    TYR  36           H        TYR  36  -4.462 -10.222  10.814
  279    HA   TYR  36           HA       TYR  36  -2.589  -9.577  13.009
  280   1HB   TYR  36          1HB       TYR  36  -4.787  -8.206  11.637
  281   2HB   TYR  36          2HB       TYR  36  -5.083  -8.260  13.360
  282    HD1  TYR  36           1HD      TYR  36  -3.294  -6.567  10.759
  283    HD2  TYR  36           2HD      TYR  36  -3.144  -7.603  14.942
  284    HE1  TYR  36           1HE      TYR  36  -1.672  -4.706  11.170
  285    HE2  TYR  36           2HE      TYR  36  -1.530  -5.753  15.347
  286    HH   TYR  36           HH       TYR  36  -0.134  -4.190  14.311
  287   1HN   NH2  37          NH1       NHE  37  -2.561 -11.264  14.523
  288   2HN   NH2  37          NH2       NHE  37  -4.080 -11.875  15.199
  Start of MODEL   16
    1   1H    TYR   1          1H        TYR   1  16.317  -1.328  -2.181
    2   2H    TYR   1          2H        TYR   1  14.682  -1.168  -2.072
    3   3H    TYR   1          3H        TYR   1  15.637  -0.730  -0.802
    4    HA   TYR   1           HA       TYR   1  14.782  -3.356  -1.630
    5   1HB   TYR   1          1HB       TYR   1  17.585  -2.668  -0.761
    6   2HB   TYR   1          2HB       TYR   1  16.876  -4.198  -0.273
    7    HD1  TYR   1           1HD      TYR   1  17.774  -2.201  -3.353
    8    HD2  TYR   1           2HD      TYR   1  16.742  -6.056  -1.668
    9    HE1  TYR   1           1HE      TYR   1  18.387  -3.305  -5.481
   10    HE2  TYR   1           2HE      TYR   1  17.384  -7.136  -3.812
   11    HH   TYR   1           HH       TYR   1  19.207  -5.666  -6.150
   12    HA   PRO   2           HA       PRO   2  13.475  -2.049   2.636
   13   1HB   PRO   2          1HB       PRO   2  10.768  -1.726   2.267
   14   2HB   PRO   2          2HB       PRO   2  11.969  -0.412   2.074
   15   1HG   PRO   2          1HG       PRO   2  10.526  -1.955  -0.051
   16   2HG   PRO   2          2HG       PRO   2  11.132  -0.269  -0.072
   17   1HD   PRO   2          1HD       PRO   2  12.387  -2.574  -1.195
   18   2HD   PRO   2          2HD       PRO   2  13.081  -0.932  -1.007
   19    H    ALA   3           H        ALA   3  12.013  -3.287   4.034
   20    HA   ALA   3           HA       ALA   3  11.050  -5.918   3.096
   21   1HB   ALA   3          1HB       ALA   3  12.581  -6.946   4.973
   22   2HB   ALA   3          2HB       ALA   3  13.262  -6.566   3.393
   23   3HB   ALA   3          3HB       ALA   3  13.534  -5.471   4.767
   24    H    LYS   4           H        LYS   4   9.502  -3.812   4.011
   25    HA   LYS   4           HA       LYS   4   8.025  -4.974   6.136
   26   1HB   LYS   4          1HB       LYS   4   8.295  -3.033   7.772
   27   2HB   LYS   4          2HB       LYS   4   9.608  -4.171   7.670
   28   1HG   LYS   4          1HG       LYS   4  10.583  -2.053   7.853
   29   2HG   LYS   4          2HG       LYS   4  10.876  -2.530   6.196
   30   1HD   LYS   4          1HD       LYS   4   9.567  -0.828   5.332
   31   2HD   LYS   4          2HD       LYS   4   8.357  -0.990   6.599
   32   1HE   LYS   4          1HE       LYS   4   9.089   0.942   7.384
   33   2HE   LYS   4          2HE       LYS   4  10.357  -0.025   8.123
   34   1HZ   LYS   4          1HZ       LYS   4  11.759   0.493   6.174
   35   2HZ   LYS   4          2HZ       LYS   4  10.554   1.396   5.518
   36   3HZ   LYS   4          3HZ       LYS   4  11.259   1.867   6.920
   37    HA   PRO   5           HA       PRO   5   5.017  -2.290   4.192
   38   1HB   PRO   5          1HB       PRO   5   3.076  -2.043   6.120
   39   2HB   PRO   5          2HB       PRO   5   3.338  -3.507   5.135
   40   1HG   PRO   5          1HG       PRO   5   4.098  -3.006   7.990
   41   2HG   PRO   5          2HG       PRO   5   3.627  -4.536   7.193
   42   1HD   PRO   5          1HD       PRO   5   6.244  -3.670   7.777
   43   2HD   PRO   5          2HD       PRO   5   5.816  -5.007   6.675
   44    H    GLU   6           H        GLU   6   6.549  -0.596   4.097
   45    HA   GLU   6           HA       GLU   6   7.044   1.335   6.084
   46   1HB   GLU   6          1HB       GLU   6   8.113   1.002   3.718
   47   2HB   GLU   6          2HB       GLU   6   6.814   2.036   3.134
   48   1HG   GLU   6          1HG       GLU   6   8.126   3.216   5.503
   49   2HG   GLU   6          2HG       GLU   6   9.314   2.773   4.295
   50    H    ALA   7           H        ALA   7   6.229   3.522   6.358
   51    HA   ALA   7           HA       ALA   7   3.530   4.047   5.422
   52   1HB   ALA   7          1HB       ALA   7   3.131   4.575   8.077
   53   2HB   ALA   7          2HB       ALA   7   2.623   3.078   7.263
   54   3HB   ALA   7          3HB       ALA   7   4.138   3.116   8.190
   55    HA   PRO   8           HA       PRO   8   5.590   8.027   5.668
   56   1HB   PRO   8          1HB       PRO   8   3.425   9.632   5.148
   57   2HB   PRO   8          2HB       PRO   8   4.395   8.813   3.889
   58   1HG   PRO   8          1HG       PRO   8   1.660   8.136   4.869
   59   2HG   PRO   8          2HG       PRO   8   2.425   7.770   3.296
   60   1HD   PRO   8          1HD       PRO   8   2.114   6.008   5.507
   61   2HD   PRO   8          2HD       PRO   8   3.102   5.718   4.047
   62    H    GLY   9           H        GLY   9   5.867   9.461   7.289
   63   1HA   GLY   9          1HA       GLY   9   4.536   9.119   9.851
   64   2HA   GLY   9          2HA       GLY   9   5.795  10.296   9.447
   65    H    GLU  10           H        GLU  10   4.685  11.967  10.581
   66    HA   GLU  10           HA       GLU  10   1.994  12.775  10.047
   67   1HB   GLU  10          1HB       GLU  10   2.537  14.722  11.398
   68   2HB   GLU  10          2HB       GLU  10   3.132  13.248  12.144
   69   1HG   GLU  10          1HG       GLU  10   5.423  13.722  11.425
   70   2HG   GLU  10          2HG       GLU  10   4.885  15.134  10.519
   71    H    ASP  11           H        ASP  11   3.781  12.602   7.602
   72    HA   ASP  11           HA       ASP  11   3.229  15.209   6.359
   73   1HB   ASP  11          1HB       ASP  11   5.664  15.030   7.397
   74   2HB   ASP  11          2HB       ASP  11   6.002  14.052   5.993
   75    H    ALA  12           H        ALA  12   1.628  14.031   5.265
   76    HA   ALA  12           HA       ALA  12   2.399  13.029   2.696
   77   1HB   ALA  12          1HB       ALA  12   2.769  10.911   3.467
   78   2HB   ALA  12          2HB       ALA  12   1.613  11.050   4.828
   79   3HB   ALA  12          3HB       ALA  12   1.023  10.800   3.182
   80    H    SER  13           H        SER  13   0.855  13.713   1.378
   81    HA   SER  13           HA       SER  13  -1.607  14.858   2.296
   82   1HB   SER  13          1HB       SER  13  -1.768  15.668   0.178
   83   2HB   SER  13          2HB       SER  13  -0.084  15.182   0.079
   84    HG   SER  13           HG       SER  13  -1.349  14.418  -1.682
   85    HA   PRO  14           HA       PRO  14  -4.423  11.450   2.153
   86   1HB   PRO  14          1HB       PRO  14  -6.586  12.255   0.617
   87   2HB   PRO  14          2HB       PRO  14  -6.271  12.773   2.297
   88   1HG   PRO  14          1HG       PRO  14  -5.858  14.289  -0.242
   89   2HG   PRO  14          2HG       PRO  14  -6.240  14.901   1.392
   90   1HD   PRO  14          1HD       PRO  14  -3.729  14.857   0.127
   91   2HD   PRO  14          2HD       PRO  14  -3.998  15.161   1.868
   92    H    GLU  15           H        GLU  15  -3.057  12.560  -0.829
   93    HA   GLU  15           HA       GLU  15  -4.006  10.383  -2.501
   94   1HB   GLU  15          1HB       GLU  15  -2.653  12.823  -2.949
   95   2HB   GLU  15          2HB       GLU  15  -1.418  11.606  -3.218
   96   1HG   GLU  15          1HG       GLU  15  -3.497  10.484  -4.621
   97   2HG   GLU  15          2HG       GLU  15  -3.977  12.175  -4.683
   98    H    GLU  16           H        GLU  16  -1.149  10.986  -0.424
   99    HA   GLU  16           HA       GLU  16   0.238   8.629  -1.302
  100   1HB   GLU  16          1HB       GLU  16   0.954  10.840   0.221
  101   2HB   GLU  16          2HB       GLU  16   0.828   9.565   1.445
  102   1HG   GLU  16          1HG       GLU  16   2.664   8.446   0.692
  103   2HG   GLU  16          2HG       GLU  16   2.285   8.725  -0.999
  104    H    LEU  17           H        LEU  17  -2.220   9.167   1.196
  105    HA   LEU  17           HA       LEU  17  -1.949   6.629   2.464
  106   1HB   LEU  17          1HB       LEU  17  -3.363   8.671   3.129
  107   2HB   LEU  17          2HB       LEU  17  -4.584   8.094   2.012
  108    HG   LEU  17           HG       LEU  17  -4.907   7.580   4.444
  109   1HD1  LEU  17          1HD1      LEU  17  -5.811   5.376   4.188
  110   2HD1  LEU  17          2HD1      LEU  17  -6.045   6.240   2.656
  111   3HD1  LEU  17          3HD1      LEU  17  -4.763   5.024   2.810
  112   1HD2  LEU  17          1HD2      LEU  17  -2.819   5.403   4.168
  113   2HD2  LEU  17          2HD2      LEU  17  -2.431   7.003   4.828
  114   3HD2  LEU  17          3HD2      LEU  17  -3.643   5.979   5.630
  115    H    SER  18           H        SER  18  -3.690   7.551  -0.509
  116    HA   SER  18           HA       SER  18  -4.799   4.931  -1.013
  117   1HB   SER  18          1HB       SER  18  -5.511   7.170  -2.077
  118   2HB   SER  18          2HB       SER  18  -4.120   6.945  -3.170
  119    HG   SER  18           HG       SER  18  -5.080   4.717  -3.420
  120    H    ARG  19           H        ARG  19  -1.578   6.184  -1.370
  121    HA   ARG  19           HA       ARG  19  -0.646   4.126  -3.241
  122   1HB   ARG  19          1HB       ARG  19   1.232   5.367  -3.336
  123   2HB   ARG  19          2HB       ARG  19   0.311   6.576  -2.501
  124   1HG   ARG  19          1HG       ARG  19   2.122   6.627  -1.196
  125   2HG   ARG  19          2HG       ARG  19   1.333   5.369  -0.293
  126   1HD   ARG  19          1HD       ARG  19   2.895   3.873  -0.704
  127   2HD   ARG  19          2HD       ARG  19   2.938   4.231  -2.442
  128    HE   ARG  19           HE       ARG  19   4.127   6.419  -1.106
  129   1HH1  ARG  19          2HH2      ARG  19   4.877   3.060  -1.509
  130   2HH1  ARG  19          1HH2      ARG  19   6.604   3.298  -1.439
  131   1HH2  ARG  19          2HH1      ARG  19   6.335   6.735  -0.994
  132   2HH2  ARG  19          1HH1      ARG  19   7.410   5.391  -1.208
  133    H    TYR  20           H        TYR  20  -0.980   4.533   0.231
  134    HA   TYR  20           HA       TYR  20   0.786   2.349   0.919
  135   1HB   TYR  20          1HB       TYR  20   0.428   4.287   2.416
  136   2HB   TYR  20          2HB       TYR  20  -1.273   3.847   2.584
  137    HD1  TYR  20           1HD      TYR  20   1.790   1.610   2.704
  138    HD2  TYR  20           2HD      TYR  20  -1.545   3.318   4.856
  139    HE1  TYR  20           1HE      TYR  20   2.289   0.159   4.609
  140    HE2  TYR  20           2HE      TYR  20  -1.002   1.862   6.804
  141    HH   TYR  20           HH       TYR  20   1.624  -0.540   6.625
  142    H    TYR  21           H        TYR  21  -2.769   2.758   1.120
  143    HA   TYR  21           HA       TYR  21  -3.521   0.199   1.919
  144   1HB   TYR  21          1HB       TYR  21  -4.766   2.532   0.889
  145   2HB   TYR  21          2HB       TYR  21  -5.290   1.251  -0.171
  146    HD1  TYR  21           1HD      TYR  21  -6.837  -0.459   0.597
  147    HD2  TYR  21           2HD      TYR  21  -5.238   2.471   3.330
  148    HE1  TYR  21           1HE      TYR  21  -8.595  -1.046   2.249
  149    HE2  TYR  21           2HE      TYR  21  -6.999   1.868   4.997
  150    HH   TYR  21           HH       TYR  21  -9.614  -0.416   4.262
  151    H    ALA  22           H        ALA  22  -2.849   1.283  -1.400
  152    HA   ALA  22           HA       ALA  22  -3.357  -1.197  -2.732
  153   1HB   ALA  22          1HB       ALA  22  -3.222   1.132  -3.749
  154   2HB   ALA  22          2HB       ALA  22  -1.459   1.045  -3.575
  155   3HB   ALA  22          3HB       ALA  22  -2.313  -0.119  -4.615
  156    H    SER  23           H        SER  23  -0.267   0.307  -1.597
  157    HA   SER  23           HA       SER  23   1.427  -1.868  -2.275
  158   1HB   SER  23          1HB       SER  23   1.842   0.640  -1.245
  159   2HB   SER  23          2HB       SER  23   2.136  -0.347   0.188
  160    HG   SER  23           HG       SER  23   3.433  -0.315  -2.304
  161    H    LEU  24           H        LEU  24  -0.466  -1.269   0.682
  162    HA   LEU  24           HA       LEU  24   0.442  -3.434   2.260
  163   1HB   LEU  24          1HB       LEU  24  -2.033  -1.702   2.205
  164   2HB   LEU  24          2HB       LEU  24  -2.051  -3.160   3.185
  165    HG   LEU  24           HG       LEU  24  -0.050  -0.917   3.457
  166   1HD1  LEU  24          1HD1      LEU  24  -2.668  -1.601   4.797
  167   2HD1  LEU  24          2HD1      LEU  24  -1.415  -0.818   5.751
  168   3HD1  LEU  24          3HD1      LEU  24  -2.017  -0.030   4.285
  169   1HD2  LEU  24          1HD2      LEU  24   0.008  -3.673   4.446
  170   2HD2  LEU  24          2HD2      LEU  24   1.221  -2.387   4.549
  171   3HD2  LEU  24          3HD2      LEU  24  -0.035  -2.532   5.789
  172    H    ARG  25           H        ARG  25  -2.493  -3.214   0.171
  173    HA   ARG  25           HA       ARG  25  -3.239  -5.954   0.568
  174   1HB   ARG  25          1HB       ARG  25  -4.531  -3.935  -0.611
  175   2HB   ARG  25          2HB       ARG  25  -3.725  -4.549  -2.065
  176   1HG   ARG  25          1HG       ARG  25  -4.614  -6.902  -1.189
  177   2HG   ARG  25          2HG       ARG  25  -5.726  -5.922  -0.236
  178   1HD   ARG  25          1HD       ARG  25  -6.871  -5.152  -2.113
  179   2HD   ARG  25          2HD       ARG  25  -5.468  -5.347  -3.190
  180    HE   ARG  25           HE       ARG  25  -6.024  -7.915  -2.395
  181   1HH1  ARG  25          2HH2      ARG  25  -7.942  -5.483  -4.022
  182   2HH1  ARG  25          1HH2      ARG  25  -8.866  -6.648  -4.928
  183   1HH2  ARG  25          2HH1      ARG  25  -7.080  -9.366  -3.699
  184   2HH2  ARG  25          1HH1      ARG  25  -8.377  -8.835  -4.732
  185    H    HIS  26           H        HIS  26  -1.072  -4.442  -1.830
  186    HA   HIS  26           HA       HIS  26  -0.439  -6.880  -3.178
  187   1HB   HIS  26          1HB       HIS  26  -0.018  -4.354  -3.801
  188   2HB   HIS  26          2HB       HIS  26   1.531  -4.603  -2.997
  189    HD1  HIS  26           1HD      HIS  26   1.290  -4.022  -6.145
  190    HE1  HIS  26           1HE      HIS  26   2.016  -8.170  -6.775
  191    H    TYR  27           H        TYR  27   0.908  -5.378  -0.271
  192    HA   TYR  27           HA       TYR  27   3.140  -7.032   0.208
  193   1HB   TYR  27          1HB       TYR  27   1.798  -4.881   1.492
  194   2HB   TYR  27          2HB       TYR  27   1.771  -6.166   2.662
  195    HD1  TYR  27           1HD      TYR  27   3.839  -3.877   0.678
  196    HD2  TYR  27           2HD      TYR  27   3.866  -7.062   3.570
  197    HE1  TYR  27           1HE      TYR  27   6.279  -3.494   1.093
  198    HE2  TYR  27           2HE      TYR  27   6.275  -6.665   4.015
  199    HH   TYR  27           HH       TYR  27   8.102  -5.589   3.327
  200    H    LEU  28           H        LEU  28  -0.240  -7.340   1.278
  201    HA   LEU  28           HA       LEU  28  -0.022  -9.738   2.808
  202   1HB   LEU  28          1HB       LEU  28  -2.068  -8.731   3.039
  203   2HB   LEU  28          2HB       LEU  28  -2.176  -8.272   1.349
  204    HG   LEU  28           HG       LEU  28  -2.656 -10.724   0.785
  205   1HD1  LEU  28          1HD1      LEU  28  -3.210 -10.925   3.761
  206   2HD1  LEU  28          2HD1      LEU  28  -3.488 -12.168   2.522
  207   3HD1  LEU  28          3HD1      LEU  28  -1.836 -11.710   2.952
  208   1HD2  LEU  28          1HD2      LEU  28  -4.416  -9.238   0.630
  209   2HD2  LEU  28          2HD2      LEU  28  -4.996 -10.522   1.689
  210   3HD2  LEU  28          3HD2      LEU  28  -4.496  -8.966   2.388
  211    H    ASN  29           H        ASN  29  -0.487  -9.339  -0.746
  212    HA   ASN  29           HA       ASN  29  -0.471 -12.201  -1.222
  213   1HB   ASN  29          1HB       ASN  29  -0.980  -9.849  -2.746
  214   2HB   ASN  29          2HB       ASN  29   0.394 -10.627  -3.521
  215   1HD2  ASN  29          1HD2      ASN  29  -2.963 -10.544  -3.511
  216   2HD2  ASN  29          2HD2      ASN  29  -3.156 -12.157  -4.228
  217    H    LEU  30           H        LEU  30   2.053 -10.033  -0.468
  218    HA   LEU  30           HA       LEU  30   4.164 -11.575  -1.795
  219   1HB   LEU  30          1HB       LEU  30   3.807  -8.860  -0.919
  220   2HB   LEU  30          2HB       LEU  30   5.054  -9.502   0.104
  221    HG   LEU  30           HG       LEU  30   5.681 -10.387  -2.558
  222   1HD1  LEU  30          1HD1      LEU  30   5.193  -7.398  -2.555
  223   2HD1  LEU  30          2HD1      LEU  30   5.638  -8.466  -3.910
  224   3HD1  LEU  30          3HD1      LEU  30   4.020  -8.552  -3.208
  225   1HD2  LEU  30          1HD2      LEU  30   7.204  -9.689  -0.605
  226   2HD2  LEU  30          2HD2      LEU  30   7.696  -9.290  -2.240
  227   3HD2  LEU  30          3HD2      LEU  30   6.987  -8.039  -1.188
  228    H    VAL  31           H        VAL  31   3.493 -10.563   1.574
  229    HA   VAL  31           HA       VAL  31   5.229 -12.654   2.696
  230    HB   VAL  31           HB       VAL  31   3.364 -10.577   3.853
  231   1HG1  VAL  31          1HG1      VAL  31   4.241 -11.256   6.147
  232   2HG1  VAL  31          2HG1      VAL  31   3.022 -12.319   5.452
  233   3HG1  VAL  31          3HG1      VAL  31   4.731 -12.796   5.415
  234   1HG2  VAL  31          1HG2      VAL  31   6.280 -11.016   4.541
  235   2HG2  VAL  31          2HG2      VAL  31   5.857 -10.233   3.013
  236   3HG2  VAL  31          3HG2      VAL  31   5.330  -9.513   4.539
  237    H    THR  32           H        THR  32   1.960 -12.597   1.554
  238    HA   THR  32           HA       THR  32   0.213 -14.014   1.657
  239    HB   THR  32           HB       THR  32   1.621 -15.072   0.099
  240    HG1  THR  32           1HG      THR  32   0.797 -17.196   0.341
  241   1HG2  THR  32          1HG2      THR  32   2.816 -16.622   2.411
  242   2HG2  THR  32          2HG2      THR  32   2.925 -17.146   0.710
  243   3HG2  THR  32          3HG2      THR  32   3.640 -15.615   1.205
  244    H    ARG  33           H        ARG  33   1.146 -13.119   4.170
  245    HA   ARG  33           HA       ARG  33  -0.359 -14.835   5.973
  246   1HB   ARG  33          1HB       ARG  33   2.144 -15.809   5.559
  247   2HB   ARG  33          2HB       ARG  33   2.544 -14.596   6.762
  248   1HG   ARG  33          1HG       ARG  33   0.290 -15.713   7.895
  249   2HG   ARG  33          2HG       ARG  33   0.854 -17.090   6.957
  250   1HD   ARG  33          1HD       ARG  33   2.629 -17.458   8.356
  251   2HD   ARG  33          2HD       ARG  33   2.962 -15.728   8.548
  252    HE   ARG  33           HE       ARG  33   0.502 -16.600   9.844
  253   1HH1  ARG  33          2HH2      ARG  33   3.882 -16.125  10.331
  254   2HH1  ARG  33          1HH2      ARG  33   3.740 -15.764  12.045
  255   1HH2  ARG  33          2HH1      ARG  33   0.288 -16.154  12.019
  256   2HH2  ARG  33          1HH1      ARG  33   1.685 -15.844  12.992
  257    H    GLN  34           H        GLN  34  -0.633 -12.089   5.348
  258    HA   GLN  34           HA       GLN  34  -0.041 -10.863   7.981
  259   1HB   GLN  34          1HB       GLN  34   1.389 -10.146   5.744
  260   2HB   GLN  34          2HB       GLN  34   0.037  -9.040   5.600
  261   1HG   GLN  34          1HG       GLN  34   0.867  -7.714   7.252
  262   2HG   GLN  34          2HG       GLN  34   1.040  -9.067   8.371
  263   1HE2  GLN  34          1HE2      GLN  34   2.697  -7.509   5.526
  264   2HE2  GLN  34          2HE2      GLN  34   4.280  -8.043   6.124
  265    H    ARG  35           H        ARG  35  -1.396  -8.908   8.363
  266    HA   ARG  35           HA       ARG  35  -4.162  -9.474   8.115
  267   1HB   ARG  35          1HB       ARG  35  -4.493  -7.320   9.153
  268   2HB   ARG  35          2HB       ARG  35  -3.098  -8.091   9.885
  269   1HG   ARG  35          1HG       ARG  35  -2.003  -6.132   9.525
  270   2HG   ARG  35          2HG       ARG  35  -1.887  -6.622   7.841
  271   1HD   ARG  35          1HD       ARG  35  -2.783  -4.429   7.795
  272   2HD   ARG  35          2HD       ARG  35  -4.151  -5.503   7.475
  273    HE   ARG  35           HE       ARG  35  -3.754  -4.853  10.296
  274   1HH1  ARG  35          2HH2      ARG  35  -5.648  -3.988   7.449
  275   2HH1  ARG  35          1HH2      ARG  35  -6.496  -2.725   8.296
  276   1HH2  ARG  35          2HH1      ARG  35  -5.085  -3.522  11.389
  277   2HH2  ARG  35          1HH1      ARG  35  -6.266  -2.541  10.577
  278    H    TYR  36           H        TYR  36  -5.817  -8.226   7.085
  279    HA   TYR  36           HA       TYR  36  -5.232  -7.704   4.273
  280   1HB   TYR  36          1HB       TYR  36  -7.465  -8.612   5.772
  281   2HB   TYR  36          2HB       TYR  36  -7.963  -7.088   5.084
  282    HD1  TYR  36           1HD      TYR  36  -6.867 -10.552   4.373
  283    HD2  TYR  36           2HD      TYR  36  -8.167  -6.824   2.638
  284    HE1  TYR  36           1HE      TYR  36  -7.222 -11.689   2.192
  285    HE2  TYR  36           2HE      TYR  36  -8.481  -7.962   0.437
  286    HH   TYR  36           HH       TYR  36  -7.723 -11.420  -0.025
  287   1HN   NH2  37          NH1       NHE  37  -4.753  -5.701   3.385
  288   2HN   NH2  37          NH2       NHE  37  -5.168  -4.191   4.198
  Start of MODEL   17
    1   1H    TYR   1          1H        TYR   1  12.323 -13.770  10.156
    2   2H    TYR   1          2H        TYR   1  10.890 -14.237   9.473
    3   3H    TYR   1          3H        TYR   1  11.593 -12.828   9.006
    4    HA   TYR   1           HA       TYR   1  10.191 -13.412  11.482
    5   1HB   TYR   1          1HB       TYR   1  12.493 -11.525  11.075
    6   2HB   TYR   1          2HB       TYR   1  11.176 -10.990  12.083
    7    HD1  TYR   1           1HD      TYR   1  14.282 -12.511  12.281
    8    HD2  TYR   1           2HD      TYR   1  10.261 -13.011  13.789
    9    HE1  TYR   1           1HE      TYR   1  15.149 -13.761  14.243
   10    HE2  TYR   1           2HE      TYR   1  11.142 -14.260  15.724
   11    HH   TYR   1           HH       TYR   1  14.627 -14.731  16.283
   12    HA   PRO   2           HA       PRO   2   7.239 -10.702   9.509
   13   1HB   PRO   2          1HB       PRO   2   6.121  -9.350  11.675
   14   2HB   PRO   2          2HB       PRO   2   5.710 -11.017  11.190
   15   1HG   PRO   2          1HG       PRO   2   7.368 -10.094  13.484
   16   2HG   PRO   2          2HG       PRO   2   6.445 -11.612  13.282
   17   1HD   PRO   2          1HD       PRO   2   9.238 -11.190  12.942
   18   2HD   PRO   2          2HD       PRO   2   8.332 -12.687  12.567
   19    H    ALA   3           H        ALA   3   6.611  -8.329   9.406
   20    HA   ALA   3           HA       ALA   3   8.629  -6.398  10.220
   21   1HB   ALA   3          1HB       ALA   3   9.769  -6.514   8.267
   22   2HB   ALA   3          2HB       ALA   3   8.550  -7.534   7.483
   23   3HB   ALA   3          3HB       ALA   3   8.357  -5.773   7.496
   24    H    LYS   4           H        LYS   4   7.917  -4.212   9.412
   25    HA   LYS   4           HA       LYS   4   4.985  -3.987   9.756
   26   1HB   LYS   4          1HB       LYS   4   5.380  -1.751  10.593
   27   2HB   LYS   4          2HB       LYS   4   6.352  -2.918  11.456
   28   1HG   LYS   4          1HG       LYS   4   7.662  -0.966  11.143
   29   2HG   LYS   4          2HG       LYS   4   8.361  -2.211  10.107
   30   1HD   LYS   4          1HD       LYS   4   7.773  -1.113   8.166
   31   2HD   LYS   4          2HD       LYS   4   6.286  -0.497   8.861
   32   1HE   LYS   4          1HE       LYS   4   7.099   1.469   9.260
   33   2HE   LYS   4          2HE       LYS   4   8.457   0.807  10.187
   34   1HZ   LYS   4          1HZ       LYS   4   8.539   1.970   7.671
   35   2HZ   LYS   4          2HZ       LYS   4   9.774   1.271   8.478
   36   3HZ   LYS   4          3HZ       LYS   4   8.856   0.382   7.434
   37    HA   PRO   5           HA       PRO   5   4.602  -2.524   5.574
   38   1HB   PRO   5          1HB       PRO   5   2.424  -0.859   5.763
   39   2HB   PRO   5          2HB       PRO   5   2.339  -2.636   5.777
   40   1HG   PRO   5          1HG       PRO   5   2.109  -0.731   8.094
   41   2HG   PRO   5          2HG       PRO   5   1.340  -2.336   7.856
   42   1HD   PRO   5          1HD       PRO   5   3.607  -1.681   9.386
   43   2HD   PRO   5          2HD       PRO   5   3.087  -3.335   8.939
   44    H    GLU   6           H        GLU   6   5.612  -0.992   4.380
   45    HA   GLU   6           HA       GLU   6   7.099   1.069   5.563
   46   1HB   GLU   6          1HB       GLU   6   7.233  -0.118   3.236
   47   2HB   GLU   6          2HB       GLU   6   6.242   1.208   2.662
   48   1HG   GLU   6          1HG       GLU   6   7.902   2.782   2.876
   49   2HG   GLU   6          2HG       GLU   6   8.570   2.045   4.326
   50    H    ALA   7           H        ALA   7   6.965   3.409   5.425
   51    HA   ALA   7           HA       ALA   7   4.435   4.568   4.704
   52   1HB   ALA   7          1HB       ALA   7   5.331   4.662   7.616
   53   2HB   ALA   7          2HB       ALA   7   3.903   5.468   6.913
   54   3HB   ALA   7          3HB       ALA   7   3.968   3.698   6.992
   55    HA   PRO   8           HA       PRO   8   7.509   7.783   4.042
   56   1HB   PRO   8          1HB       PRO   8   5.777   9.901   3.573
   57   2HB   PRO   8          2HB       PRO   8   6.263   8.681   2.364
   58   1HG   PRO   8          1HG       PRO   8   3.663   8.900   3.827
   59   2HG   PRO   8          2HG       PRO   8   4.022   8.161   2.239
   60   1HD   PRO   8          1HD       PRO   8   3.650   6.903   4.758
   61   2HD   PRO   8          2HD       PRO   8   4.199   6.133   3.238
   62    H    GLY   9           H        GLY   9   8.347   9.554   5.201
   63   1HA   GLY   9          1HA       GLY   9   7.789   9.683   8.028
   64   2HA   GLY   9          2HA       GLY   9   8.922  10.689   7.121
   65    H    GLU  10           H        GLU  10   8.291  12.602   8.237
   66    HA   GLU  10           HA       GLU  10   5.542  13.525   8.183
   67   1HB   GLU  10          1HB       GLU  10   7.720  14.105   9.738
   68   2HB   GLU  10          2HB       GLU  10   7.689  15.540   8.749
   69   1HG   GLU  10          1HG       GLU  10   5.037  14.638   9.897
   70   2HG   GLU  10          2HG       GLU  10   6.266  15.060  11.056
   71    H    ASP  11           H        ASP  11   6.322  12.855   5.606
   72    HA   ASP  11           HA       ASP  11   5.762  15.294   4.114
   73   1HB   ASP  11          1HB       ASP  11   8.494  14.058   4.090
   74   2HB   ASP  11          2HB       ASP  11   7.805  14.391   2.509
   75    H    ALA  12           H        ALA  12   3.870  14.239   3.688
   76    HA   ALA  12           HA       ALA  12   3.850  12.644   1.299
   77   1HB   ALA  12          1HB       ALA  12   2.297  10.931   2.871
   78   2HB   ALA  12          2HB       ALA  12   3.913  10.651   2.206
   79   3HB   ALA  12          3HB       ALA  12   3.735  11.240   3.873
   80    H    SER  13           H        SER  13   2.275  13.562   0.229
   81    HA   SER  13           HA       SER  13   0.201  15.162   1.414
   82   1HB   SER  13          1HB       SER  13  -0.221  15.803  -0.714
   83   2HB   SER  13          2HB       SER  13   1.310  15.006  -1.074
   84    HG   SER  13           HG       SER  13  -0.402  14.308  -2.459
   85    HA   PRO  14           HA       PRO  14  -3.026  12.221   2.152
   86   1HB   PRO  14          1HB       PRO  14  -5.299  13.219   0.897
   87   2HB   PRO  14          2HB       PRO  14  -4.625  13.804   2.441
   88   1HG   PRO  14          1HG       PRO  14  -4.486  15.072  -0.252
   89   2HG   PRO  14          2HG       PRO  14  -4.430  15.835   1.368
   90   1HD   PRO  14          1HD       PRO  14  -2.280  15.249  -0.370
   91   2HD   PRO  14          2HD       PRO  14  -2.128  15.790   1.324
   92    H    GLU  15           H        GLU  15  -2.055  12.811  -1.117
   93    HA   GLU  15           HA       GLU  15  -3.568  10.633  -2.341
   94   1HB   GLU  15          1HB       GLU  15  -2.113  12.902  -3.200
   95   2HB   GLU  15          2HB       GLU  15  -1.137  11.542  -3.740
   96   1HG   GLU  15          1HG       GLU  15  -2.896  10.678  -5.082
   97   2HG   GLU  15          2HG       GLU  15  -4.132  11.598  -4.211
   98    H    GLU  16           H        GLU  16  -0.442  11.018  -0.700
   99    HA   GLU  16           HA       GLU  16   0.594   8.486  -1.635
  100   1HB   GLU  16          1HB       GLU  16   1.671  10.656  -0.265
  101   2HB   GLU  16          2HB       GLU  16   1.573   9.442   1.005
  102   1HG   GLU  16          1HG       GLU  16   3.194   8.114   0.057
  103   2HG   GLU  16          2HG       GLU  16   2.664   8.429  -1.583
  104    H    LEU  17           H        LEU  17  -1.543   9.442   1.036
  105    HA   LEU  17           HA       LEU  17  -1.455   6.957   2.420
  106   1HB   LEU  17          1HB       LEU  17  -2.634   9.307   2.910
  107   2HB   LEU  17          2HB       LEU  17  -4.027   8.527   2.188
  108    HG   LEU  17           HG       LEU  17  -3.963   8.437   4.638
  109   1HD1  LEU  17          1HD1      LEU  17  -5.107   6.523   4.669
  110   2HD1  LEU  17          2HD1      LEU  17  -4.647   6.297   2.986
  111   3HD1  LEU  17          3HD1      LEU  17  -3.682   5.540   4.262
  112   1HD2  LEU  17          1HD2      LEU  17  -1.674   6.465   4.635
  113   2HD2  LEU  17          2HD2      LEU  17  -1.355   8.204   4.655
  114   3HD2  LEU  17          3HD2      LEU  17  -2.316   7.474   5.949
  115    H    SER  18           H        SER  18  -3.363   7.904  -0.468
  116    HA   SER  18           HA       SER  18  -4.784   5.383  -0.585
  117   1HB   SER  18          1HB       SER  18  -5.615   6.012  -2.669
  118   2HB   SER  18          2HB       SER  18  -5.527   7.495  -1.717
  119    HG   SER  18           HG       SER  18  -3.260   7.091  -3.211
  120    H    ARG  19           H        ARG  19  -1.532   6.233  -1.383
  121    HA   ARG  19           HA       ARG  19  -1.018   4.004  -3.212
  122   1HB   ARG  19          1HB       ARG  19   0.924   5.078  -3.582
  123   2HB   ARG  19          2HB       ARG  19   0.214   6.396  -2.704
  124   1HG   ARG  19          1HG       ARG  19   2.181   6.307  -1.626
  125   2HG   ARG  19          2HG       ARG  19   1.363   5.193  -0.566
  126   1HD   ARG  19          1HD       ARG  19   2.595   3.439  -1.141
  127   2HD   ARG  19          2HD       ARG  19   2.602   3.861  -2.866
  128    HE   ARG  19           HE       ARG  19   4.165   5.707  -1.266
  129   1HH1  ARG  19          2HH2      ARG  19   4.327   2.625  -2.851
  130   2HH1  ARG  19          1HH2      ARG  19   6.042   2.658  -3.090
  131   1HH2  ARG  19          2HH1      ARG  19   6.378   5.813  -1.590
  132   2HH2  ARG  19          1HH1      ARG  19   7.201   4.509  -2.345
  133    H    TYR  20           H        TYR  20  -1.014   4.538   0.236
  134    HA   TYR  20           HA       TYR  20   0.697   2.328   0.981
  135   1HB   TYR  20          1HB       TYR  20   0.409   4.264   2.434
  136   2HB   TYR  20          2HB       TYR  20  -1.323   4.014   2.514
  137    HD1  TYR  20           1HD      TYR  20   1.927   2.758   3.714
  138    HD2  TYR  20           2HD      TYR  20  -2.361   2.288   3.861
  139    HE1  TYR  20           1HE      TYR  20   2.138   1.338   5.744
  140    HE2  TYR  20           2HE      TYR  20  -2.147   0.815   5.830
  141    HH   TYR  20           HH       TYR  20  -0.648  -0.448   7.031
  142    H    TYR  21           H        TYR  21  -2.826   2.824   1.258
  143    HA   TYR  21           HA       TYR  21  -3.631   0.232   2.041
  144   1HB   TYR  21          1HB       TYR  21  -4.853   2.634   0.755
  145   2HB   TYR  21          2HB       TYR  21  -5.665   1.132   0.394
  146    HD1  TYR  21           1HD      TYR  21  -4.364   3.066   3.370
  147    HD2  TYR  21           2HD      TYR  21  -7.317   0.338   1.807
  148    HE1  TYR  21           1HE      TYR  21  -5.595   3.148   5.536
  149    HE2  TYR  21           2HE      TYR  21  -8.587   0.491   3.917
  150    HH   TYR  21           HH       TYR  21  -8.660   1.364   6.006
  151    H    ALA  22           H        ALA  22  -2.816   1.441  -1.193
  152    HA   ALA  22           HA       ALA  22  -3.640  -0.924  -2.628
  153   1HB   ALA  22          1HB       ALA  22  -1.530   1.109  -3.455
  154   2HB   ALA  22          2HB       ALA  22  -2.576   0.123  -4.494
  155   3HB   ALA  22          3HB       ALA  22  -3.267   1.454  -3.534
  156    H    SER  23           H        SER  23  -0.491   0.251  -1.338
  157    HA   SER  23           HA       SER  23   1.099  -1.971  -2.100
  158   1HB   SER  23          1HB       SER  23   1.602   0.392  -0.766
  159   2HB   SER  23          2HB       SER  23   1.739  -0.793   0.545
  160    HG   SER  23           HG       SER  23   3.709  -0.616  -0.473
  161    H    LEU  24           H        LEU  24  -0.962  -1.487   0.798
  162    HA   LEU  24           HA       LEU  24  -0.276  -3.732   2.276
  163   1HB   LEU  24          1HB       LEU  24  -2.714  -2.074   1.995
  164   2HB   LEU  24          2HB       LEU  24  -3.053  -3.696   2.564
  165    HG   LEU  24           HG       LEU  24  -1.038  -1.841   3.878
  166   1HD1  LEU  24          1HD1      LEU  24  -3.048  -0.765   4.299
  167   2HD1  LEU  24          2HD1      LEU  24  -4.014  -2.243   4.196
  168   3HD1  LEU  24          3HD1      LEU  24  -3.052  -1.928   5.645
  169   1HD2  LEU  24          1HD2      LEU  24  -0.768  -4.374   4.252
  170   2HD2  LEU  24          2HD2      LEU  24  -1.042  -3.405   5.699
  171   3HD2  LEU  24          3HD2      LEU  24  -2.374  -4.348   4.991
  172    H    ARG  25           H        ARG  25  -2.707  -3.732  -0.356
  173    HA   ARG  25           HA       ARG  25  -3.213  -6.558  -0.231
  174   1HB   ARG  25          1HB       ARG  25  -4.006  -4.344  -1.937
  175   2HB   ARG  25          2HB       ARG  25  -3.377  -5.618  -2.966
  176   1HG   ARG  25          1HG       ARG  25  -4.938  -7.136  -1.319
  177   2HG   ARG  25          2HG       ARG  25  -5.811  -5.610  -1.215
  178   1HD   ARG  25          1HD       ARG  25  -5.012  -6.653  -3.955
  179   2HD   ARG  25          2HD       ARG  25  -6.270  -7.498  -3.075
  180    HE   ARG  25           HE       ARG  25  -7.737  -5.802  -3.422
  181   1HH1  ARG  25          2HH2      ARG  25  -4.587  -4.485  -4.219
  182   2HH1  ARG  25          1HH2      ARG  25  -5.234  -3.009  -4.862
  183   1HH2  ARG  25          2HH1      ARG  25  -8.540  -3.926  -4.246
  184   2HH2  ARG  25          1HH1      ARG  25  -7.465  -2.683  -4.819
  185    H    HIS  26           H        HIS  26  -0.778  -4.701  -1.999
  186    HA   HIS  26           HA       HIS  26   0.361  -6.996  -3.333
  187   1HB   HIS  26          1HB       HIS  26   0.540  -4.302  -3.713
  188   2HB   HIS  26          2HB       HIS  26   2.039  -4.561  -2.834
  189    HD1  HIS  26           1HD      HIS  26   3.890  -4.624  -4.741
  190    HE1  HIS  26           1HE      HIS  26   1.917  -7.151  -7.539
  191    H    TYR  27           H        TYR  27   0.795  -5.547  -0.202
  192    HA   TYR  27           HA       TYR  27   3.171  -6.905   0.605
  193   1HB   TYR  27          1HB       TYR  27   1.895  -4.742   1.508
  194   2HB   TYR  27          2HB       TYR  27   1.127  -5.898   2.572
  195    HD1  TYR  27           1HD      TYR  27   4.375  -4.561   1.374
  196    HD2  TYR  27           2HD      TYR  27   2.311  -6.665   4.521
  197    HE1  TYR  27           1HE      TYR  27   6.412  -4.407   2.817
  198    HE2  TYR  27           2HE      TYR  27   4.335  -6.510   5.959
  199    HH   TYR  27           HH       TYR  27   6.736  -6.241   5.724
  200    H    LEU  28           H        LEU  28  -0.301  -7.452   1.322
  201    HA   LEU  28           HA       LEU  28  -0.048  -9.884   2.787
  202   1HB   LEU  28          1HB       LEU  28  -2.147  -8.945   2.942
  203   2HB   LEU  28          2HB       LEU  28  -2.154  -8.418   1.269
  204    HG   LEU  28           HG       LEU  28  -2.557 -10.817   0.563
  205   1HD1  LEU  28          1HD1      LEU  28  -3.538 -12.327   2.278
  206   2HD1  LEU  28          2HD1      LEU  28  -1.834 -11.992   2.618
  207   3HD1  LEU  28          3HD1      LEU  28  -3.099 -11.169   3.549
  208   1HD2  LEU  28          1HD2      LEU  28  -4.311  -8.942   0.892
  209   2HD2  LEU  28          2HD2      LEU  28  -4.846 -10.618   0.738
  210   3HD2  LEU  28          3HD2      LEU  28  -4.793  -9.851   2.341
  211    H    ASN  29           H        ASN  29  -0.274  -9.348  -0.758
  212    HA   ASN  29           HA       ASN  29   0.060 -12.179  -1.337
  213   1HB   ASN  29          1HB       ASN  29   0.094  -9.652  -3.002
  214   2HB   ASN  29          2HB       ASN  29   0.528 -11.217  -3.696
  215   1HD2  ASN  29          1HD2      ASN  29  -1.860  -9.360  -4.102
  216   2HD2  ASN  29          2HD2      ASN  29  -3.177 -10.536  -3.987
  217    H    LEU  30           H        LEU  30   2.339  -9.926  -0.225
  218    HA   LEU  30           HA       LEU  30   4.631 -11.186  -1.602
  219   1HB   LEU  30          1HB       LEU  30   5.088  -9.010  -1.500
  220   2HB   LEU  30          2HB       LEU  30   4.117  -8.685  -0.108
  221    HG   LEU  30           HG       LEU  30   6.610 -10.227   0.473
  222   1HD1  LEU  30          1HD1      LEU  30   7.670  -8.815  -1.010
  223   2HD1  LEU  30          2HD1      LEU  30   6.611  -7.437  -0.661
  224   3HD1  LEU  30          3HD1      LEU  30   7.824  -7.948   0.530
  225   1HD2  LEU  30          1HD2      LEU  30   6.585  -8.979   2.482
  226   2HD2  LEU  30          2HD2      LEU  30   5.531  -7.717   1.803
  227   3HD2  LEU  30          3HD2      LEU  30   4.886  -9.322   2.170
  228    H    VAL  31           H        VAL  31   2.989 -11.190   1.543
  229    HA   VAL  31           HA       VAL  31   4.995 -12.808   2.863
  230    HB   VAL  31           HB       VAL  31   2.074 -12.496   3.639
  231   1HG1  VAL  31          1HG1      VAL  31   4.487 -13.679   4.975
  232   2HG1  VAL  31          2HG1      VAL  31   3.473 -12.659   5.994
  233   3HG1  VAL  31          3HG1      VAL  31   2.762 -14.058   5.179
  234   1HG2  VAL  31          1HG2      VAL  31   2.715 -10.643   5.046
  235   2HG2  VAL  31          2HG2      VAL  31   4.429 -10.809   4.594
  236   3HG2  VAL  31          3HG2      VAL  31   3.227 -10.265   3.423
  237    H    THR  32           H        THR  32   2.942 -13.628   0.387
  238    HA   THR  32           HA       THR  32   2.849 -16.528   1.089
  239    HB   THR  32           HB       THR  32   0.711 -15.249   0.741
  240    HG1  THR  32           1HG      THR  32  -0.179 -17.030  -0.147
  241   1HG2  THR  32          1HG2      THR  32   0.594 -15.727  -2.136
  242   2HG2  THR  32          2HG2      THR  32   0.116 -14.307  -1.194
  243   3HG2  THR  32          3HG2      THR  32   1.796 -14.500  -1.753
  244    H    ARG  33           H        ARG  33   5.131 -14.980  -0.056
  245    HA   ARG  33           HA       ARG  33   5.910 -16.981  -2.040
  246   1HB   ARG  33          1HB       ARG  33   4.579 -15.093  -3.257
  247   2HB   ARG  33          2HB       ARG  33   5.974 -14.073  -2.928
  248   1HG   ARG  33          1HG       ARG  33   6.136 -14.960  -5.155
  249   2HG   ARG  33          2HG       ARG  33   7.415 -15.740  -4.222
  250   1HD   ARG  33          1HD       ARG  33   6.284 -17.808  -4.124
  251   2HD   ARG  33          2HD       ARG  33   4.716 -17.073  -4.519
  252    HE   ARG  33           HE       ARG  33   6.474 -16.575  -6.667
  253   1HH1  ARG  33          2HH2      ARG  33   4.818 -19.288  -5.277
  254   2HH1  ARG  33          1HH2      ARG  33   4.615 -20.133  -6.787
  255   1HH2  ARG  33          2HH1      ARG  33   6.367 -17.715  -8.602
  256   2HH2  ARG  33          1HH1      ARG  33   5.488 -19.200  -8.673
  257    H    GLN  34           H        GLN  34   6.934 -16.428   0.536
  258    HA   GLN  34           HA       GLN  34   9.678 -15.595  -0.193
  259   1HB   GLN  34          1HB       GLN  34   8.028 -13.857   1.213
  260   2HB   GLN  34          2HB       GLN  34   8.815 -14.752   2.513
  261   1HG   GLN  34          1HG       GLN  34  11.000 -14.218   0.959
  262   2HG   GLN  34          2HG       GLN  34   9.974 -12.874   0.470
  263   1HE2  GLN  34          1HE2      GLN  34  12.040 -14.179   2.979
  264   2HE2  GLN  34          2HE2      GLN  34  11.738 -12.838   4.097
  265    H    ARG  35           H        ARG  35  11.302 -16.525   0.948
  266    HA   ARG  35           HA       ARG  35  10.724 -18.620   2.973
  267   1HB   ARG  35          1HB       ARG  35  11.788 -18.966   0.186
  268   2HB   ARG  35          2HB       ARG  35  12.665 -19.838   1.440
  269   1HG   ARG  35          1HG       ARG  35   9.645 -19.998   1.475
  270   2HG   ARG  35          2HG       ARG  35  10.514 -20.892   0.227
  271   1HD   ARG  35          1HD       ARG  35  11.617 -22.286   1.754
  272   2HD   ARG  35          2HD       ARG  35  11.495 -21.120   3.072
  273    HE   ARG  35           HE       ARG  35   9.552 -22.120   3.740
  274   1HH1  ARG  35          2HH2      ARG  35   9.887 -22.940   0.388
  275   2HH1  ARG  35          1HH2      ARG  35   8.463 -23.940   0.354
  276   1HH2  ARG  35          2HH1      ARG  35   7.674 -23.273   3.717
  277   2HH2  ARG  35          1HH1      ARG  35   7.204 -24.077   2.253
  278    H    TYR  36           H        TYR  36  11.566 -17.468   4.561
  279    HA   TYR  36           HA       TYR  36  13.830 -15.866   4.732
  280   1HB   TYR  36          1HB       TYR  36  12.159 -16.170   6.501
  281   2HB   TYR  36          2HB       TYR  36  12.685 -17.833   6.741
  282    HD1  TYR  36           1HD      TYR  36  13.465 -14.291   7.380
  283    HD2  TYR  36           2HD      TYR  36  14.917 -18.337   7.733
  284    HE1  TYR  36           1HE      TYR  36  15.132 -13.543   9.072
  285    HE2  TYR  36           2HE      TYR  36  16.633 -17.579   9.376
  286    HH   TYR  36           HH       TYR  36  16.844 -14.190  10.459
  287   1HN   NH2  37          NH1       NHE  37  15.859 -16.325   3.927
  288   2HN   NH2  37          NH2       NHE  37  16.655 -17.869   4.215
  Start of MODEL   18
    1   1H    TYR   1          1H        TYR   1  15.121  -7.413  12.723
    2   2H    TYR   1          2H        TYR   1  15.963  -6.007  12.549
    3   3H    TYR   1          3H        TYR   1  14.637  -6.066  13.523
    4    HA   TYR   1           HA       TYR   1  14.117  -4.970  11.428
    5   1HB   TYR   1          1HB       TYR   1  15.205  -7.579  10.392
    6   2HB   TYR   1          2HB       TYR   1  13.925  -6.772   9.497
    7    HD1  TYR   1           1HD      TYR   1  14.169  -4.313   8.850
    8    HD2  TYR   1           2HD      TYR   1  17.487  -6.821  10.068
    9    HE1  TYR   1           1HE      TYR   1  15.763  -2.797   7.690
   10    HE2  TYR   1           2HE      TYR   1  19.053  -5.311   8.885
   11    HH   TYR   1           HH       TYR   1  19.075  -3.646   7.134
   12    HA   PRO   2           HA       PRO   2  10.382  -7.130  12.936
   13   1HB   PRO   2          1HB       PRO   2   8.926  -4.840  13.513
   14   2HB   PRO   2          2HB       PRO   2   9.982  -5.698  14.655
   15   1HG   PRO   2          1HG       PRO   2  10.473  -3.127  13.251
   16   2HG   PRO   2          2HG       PRO   2  11.174  -3.740  14.768
   17   1HD   PRO   2          1HD       PRO   2  12.354  -3.723  12.156
   18   2HD   PRO   2          2HD       PRO   2  13.016  -4.477  13.638
   19    H    ALA   3           H        ALA   3   8.302  -7.281  11.972
   20    HA   ALA   3           HA       ALA   3   8.184  -6.382   9.168
   21   1HB   ALA   3          1HB       ALA   3   6.345  -7.982   8.983
   22   2HB   ALA   3          2HB       ALA   3   7.772  -8.767   9.691
   23   3HB   ALA   3          3HB       ALA   3   6.400  -8.295  10.728
   24    H    LYS   4           H        LYS   4   7.338  -4.413   8.857
   25    HA   LYS   4           HA       LYS   4   4.725  -3.786  10.022
   26   1HB   LYS   4          1HB       LYS   4   5.436  -1.470  10.579
   27   2HB   LYS   4          2HB       LYS   4   6.201  -2.679  11.578
   28   1HG   LYS   4          1HG       LYS   4   7.802  -2.031   9.153
   29   2HG   LYS   4          2HG       LYS   4   7.432  -0.610  10.098
   30   1HD   LYS   4          1HD       LYS   4   8.395  -2.994  11.668
   31   2HD   LYS   4          2HD       LYS   4   9.562  -2.320  10.545
   32   1HE   LYS   4          1HE       LYS   4   8.034  -0.650  12.593
   33   2HE   LYS   4          2HE       LYS   4   9.643  -1.328  12.879
   34   1HZ   LYS   4          1HZ       LYS   4   9.792   0.931  12.064
   35   2HZ   LYS   4          2HZ       LYS   4  10.437  -0.111  10.951
   36   3HZ   LYS   4          3HZ       LYS   4   8.955   0.543  10.698
   37    HA   PRO   5           HA       PRO   5   4.168  -2.338   5.856
   38   1HB   PRO   5          1HB       PRO   5   2.156  -0.489   6.185
   39   2HB   PRO   5          2HB       PRO   5   1.917  -2.251   6.164
   40   1HG   PRO   5          1HG       PRO   5   1.881  -0.405   8.519
   41   2HG   PRO   5          2HG       PRO   5   1.074  -1.987   8.298
   42   1HD   PRO   5          1HD       PRO   5   3.455  -1.404   9.708
   43   2HD   PRO   5          2HD       PRO   5   2.816  -3.031   9.322
   44    H    GLU   6           H        GLU   6   5.183  -0.878   4.593
   45    HA   GLU   6           HA       GLU   6   6.856   1.136   5.699
   46   1HB   GLU   6          1HB       GLU   6   6.852  -0.158   3.354
   47   2HB   GLU   6          2HB       GLU   6   5.933   1.244   2.816
   48   1HG   GLU   6          1HG       GLU   6   7.826   2.453   2.630
   49   2HG   GLU   6          2HG       GLU   6   8.219   2.210   4.312
   50    H    ALA   7           H        ALA   7   6.736   3.469   5.541
   51    HA   ALA   7           HA       ALA   7   4.288   4.677   4.659
   52   1HB   ALA   7          1HB       ALA   7   4.991   4.984   7.602
   53   2HB   ALA   7          2HB       ALA   7   3.543   5.572   6.746
   54   3HB   ALA   7          3HB       ALA   7   3.772   3.835   7.009
   55    HA   PRO   8           HA       PRO   8   7.519   7.774   4.113
   56   1HB   PRO   8          1HB       PRO   8   5.898   9.931   3.420
   57   2HB   PRO   8          2HB       PRO   8   6.454   8.650   2.308
   58   1HG   PRO   8          1HG       PRO   8   3.750   8.997   3.535
   59   2HG   PRO   8          2HG       PRO   8   4.215   8.194   2.005
   60   1HD   PRO   8          1HD       PRO   8   3.590   7.025   4.517
   61   2HD   PRO   8          2HD       PRO   8   4.260   6.191   3.082
   62    H    GLY   9           H        GLY   9   8.274   9.676   5.180
   63   1HA   GLY   9          1HA       GLY   9   7.546   9.974   7.963
   64   2HA   GLY   9          2HA       GLY   9   8.722  10.942   7.061
   65    H    GLU  10           H        GLU  10   7.926  12.862   8.125
   66    HA   GLU  10           HA       GLU  10   5.201  13.800   7.878
   67   1HB   GLU  10          1HB       GLU  10   7.729  14.664   9.104
   68   2HB   GLU  10          2HB       GLU  10   6.846  16.024   8.478
   69   1HG   GLU  10          1HG       GLU  10   5.274  13.996  10.065
   70   2HG   GLU  10          2HG       GLU  10   6.472  14.912  10.941
   71    H    ASP  11           H        ASP  11   6.339  13.052   5.349
   72    HA   ASP  11           HA       ASP  11   5.822  15.436   3.701
   73   1HB   ASP  11          1HB       ASP  11   8.459  13.942   3.767
   74   2HB   ASP  11          2HB       ASP  11   7.850  14.574   2.241
   75    H    ALA  12           H        ALA  12   3.880  14.342   3.244
   76    HA   ALA  12           HA       ALA  12   3.993  12.682   0.916
   77   1HB   ALA  12          1HB       ALA  12   4.154  10.718   1.915
   78   2HB   ALA  12          2HB       ALA  12   3.687  11.320   3.527
   79   3HB   ALA  12          3HB       ALA  12   2.443  10.907   2.326
   80    H    SER  13           H        SER  13   2.461  13.522  -0.226
   81    HA   SER  13           HA       SER  13   0.319  15.136   0.783
   82   1HB   SER  13          1HB       SER  13  -0.050  15.651  -1.399
   83   2HB   SER  13          2HB       SER  13   1.527  14.915  -1.631
   84    HG   SER  13           HG       SER  13   0.602  13.156  -2.490
   85    HA   PRO  14           HA       PRO  14  -2.956  12.243   1.502
   86   1HB   PRO  14          1HB       PRO  14  -5.171  13.194   0.139
   87   2HB   PRO  14          2HB       PRO  14  -4.551  13.858   1.673
   88   1HG   PRO  14          1HG       PRO  14  -4.305  14.981  -1.074
   89   2HG   PRO  14          2HG       PRO  14  -4.311  15.825   0.501
   90   1HD   PRO  14          1HD       PRO  14  -2.090  15.159  -1.109
   91   2HD   PRO  14          2HD       PRO  14  -2.009  15.773   0.569
   92    H    GLU  15           H        GLU  15  -1.891  12.730  -1.789
   93    HA   GLU  15           HA       GLU  15  -3.386  10.493  -2.916
   94   1HB   GLU  15          1HB       GLU  15  -1.750  12.598  -3.945
   95   2HB   GLU  15          2HB       GLU  15  -0.862  11.129  -4.288
   96   1HG   GLU  15          1HG       GLU  15  -3.534  10.507  -5.012
   97   2HG   GLU  15          2HG       GLU  15  -3.350  12.194  -5.455
   98    H    GLU  16           H        GLU  16  -0.300  10.891  -1.196
   99    HA   GLU  16           HA       GLU  16   0.735   8.309  -1.975
  100   1HB   GLU  16          1HB       GLU  16   1.784  10.553  -0.778
  101   2HB   GLU  16          2HB       GLU  16   1.655   9.480   0.614
  102   1HG   GLU  16          1HG       GLU  16   3.201   7.961  -0.210
  103   2HG   GLU  16          2HG       GLU  16   2.835   8.312  -1.894
  104    H    LEU  17           H        LEU  17  -1.367   9.458   0.630
  105    HA   LEU  17           HA       LEU  17  -1.357   7.088   2.197
  106   1HB   LEU  17          1HB       LEU  17  -2.527   9.480   2.489
  107   2HB   LEU  17          2HB       LEU  17  -3.887   8.658   1.746
  108    HG   LEU  17           HG       LEU  17  -2.994   6.819   3.706
  109   1HD1  LEU  17          1HD1      LEU  17  -2.506   7.943   5.698
  110   2HD1  LEU  17          2HD1      LEU  17  -1.514   8.784   4.497
  111   3HD1  LEU  17          3HD1      LEU  17  -3.033   9.529   5.060
  112   1HD2  LEU  17          1HD2      LEU  17  -4.998   7.882   5.049
  113   2HD2  LEU  17          2HD2      LEU  17  -5.258   8.804   3.551
  114   3HD2  LEU  17          3HD2      LEU  17  -5.273   7.019   3.524
  115    H    SER  18           H        SER  18  -3.217   7.888  -0.775
  116    HA   SER  18           HA       SER  18  -4.740   5.438  -0.832
  117   1HB   SER  18          1HB       SER  18  -3.922   7.132  -3.219
  118   2HB   SER  18          2HB       SER  18  -5.317   6.050  -3.070
  119    HG   SER  18           HG       SER  18  -5.937   7.536  -1.265
  120    H    ARG  19           H        ARG  19  -1.437   6.190  -1.700
  121    HA   ARG  19           HA       ARG  19  -0.959   3.831  -3.341
  122   1HB   ARG  19          1HB       ARG  19   1.015   4.809  -3.768
  123   2HB   ARG  19          2HB       ARG  19   0.333   6.206  -2.986
  124   1HG   ARG  19          1HG       ARG  19   2.318   6.149  -1.931
  125   2HG   ARG  19          2HG       ARG  19   1.481   5.133  -0.780
  126   1HD   ARG  19          1HD       ARG  19   2.486   3.190  -1.452
  127   2HD   ARG  19          2HD       ARG  19   2.911   3.835  -3.061
  128    HE   ARG  19           HE       ARG  19   4.250   5.492  -1.321
  129   1HH1  ARG  19          2HH2      ARG  19   4.284   2.057  -1.796
  130   2HH1  ARG  19          1HH2      ARG  19   5.977   1.866  -1.425
  131   1HH2  ARG  19          2HH1      ARG  19   6.369   5.274  -0.704
  132   2HH2  ARG  19          1HH1      ARG  19   7.124   3.702  -0.735
  133    H    TYR  20           H        TYR  20  -0.868   4.569   0.069
  134    HA   TYR  20           HA       TYR  20   0.677   2.304   0.960
  135   1HB   TYR  20          1HB       TYR  20   0.410   4.318   2.318
  136   2HB   TYR  20          2HB       TYR  20  -1.324   4.083   2.394
  137    HD1  TYR  20           1HD      TYR  20   1.748   3.396   4.082
  138    HD2  TYR  20           2HD      TYR  20  -2.288   1.946   3.498
  139    HE1  TYR  20           1HE      TYR  20   1.881   2.088   6.194
  140    HE2  TYR  20           2HE      TYR  20  -2.109   0.620   5.547
  141    HH   TYR  20           HH       TYR  20  -0.550  -0.283   7.020
  142    H    TYR  21           H        TYR  21  -2.856   2.949   0.923
  143    HA   TYR  21           HA       TYR  21  -3.742   0.472   1.902
  144   1HB   TYR  21          1HB       TYR  21  -4.884   2.603   0.120
  145   2HB   TYR  21          2HB       TYR  21  -5.735   1.075   0.166
  146    HD1  TYR  21           1HD      TYR  21  -5.836   4.212   1.545
  147    HD2  TYR  21           2HD      TYR  21  -5.908   0.068   2.730
  148    HE1  TYR  21           1HE      TYR  21  -7.134   4.814   3.593
  149    HE2  TYR  21           2HE      TYR  21  -7.166   0.668   4.781
  150    HH   TYR  21           HH       TYR  21  -7.993   2.379   6.036
  151    H    ALA  22           H        ALA  22  -2.944   1.315  -1.452
  152    HA   ALA  22           HA       ALA  22  -3.587  -1.272  -2.548
  153   1HB   ALA  22          1HB       ALA  22  -1.666   0.831  -3.642
  154   2HB   ALA  22          2HB       ALA  22  -2.578  -0.401  -4.550
  155   3HB   ALA  22          3HB       ALA  22  -3.429   0.948  -3.773
  156    H    SER  23           H        SER  23  -0.542   0.199  -1.327
  157    HA   SER  23           HA       SER  23   1.207  -2.007  -1.832
  158   1HB   SER  23          1HB       SER  23   2.265   0.007  -1.356
  159   2HB   SER  23          2HB       SER  23   1.261   0.338   0.062
  160    HG   SER  23           HG       SER  23   3.312  -0.353   0.717
  161    H    LEU  24           H        LEU  24  -0.943  -1.340   0.955
  162    HA   LEU  24           HA       LEU  24  -0.139  -3.378   2.649
  163   1HB   LEU  24          1HB       LEU  24  -2.612  -1.835   2.265
  164   2HB   LEU  24          2HB       LEU  24  -2.956  -3.460   2.834
  165    HG   LEU  24           HG       LEU  24  -1.133  -1.456   4.188
  166   1HD1  LEU  24          1HD1      LEU  24  -3.539  -0.928   4.328
  167   2HD1  LEU  24          2HD1      LEU  24  -3.888  -2.574   4.889
  168   3HD1  LEU  24          3HD1      LEU  24  -2.942  -1.474   5.908
  169   1HD2  LEU  24          1HD2      LEU  24  -1.117  -4.314   4.455
  170   2HD2  LEU  24          2HD2      LEU  24  -0.293  -3.102   5.446
  171   3HD2  LEU  24          3HD2      LEU  24  -1.909  -3.672   5.891
  172    H    ARG  25           H        ARG  25  -2.787  -3.737   0.255
  173    HA   ARG  25           HA       ARG  25  -2.947  -6.552   0.479
  174   1HB   ARG  25          1HB       ARG  25  -4.285  -4.630  -1.035
  175   2HB   ARG  25          2HB       ARG  25  -3.483  -5.608  -2.245
  176   1HG   ARG  25          1HG       ARG  25  -5.188  -7.029  -2.073
  177   2HG   ARG  25          2HG       ARG  25  -4.491  -7.599  -0.588
  178   1HD   ARG  25          1HD       ARG  25  -5.978  -6.396   0.777
  179   2HD   ARG  25          2HD       ARG  25  -6.271  -5.159  -0.436
  180    HE   ARG  25           HE       ARG  25  -7.767  -7.583  -0.113
  181   1HH1  ARG  25          2HH2      ARG  25  -6.712  -5.318  -2.537
  182   2HH1  ARG  25          1HH2      ARG  25  -7.930  -5.766  -3.693
  183   1HH2  ARG  25          2HH1      ARG  25  -9.350  -8.151  -1.602
  184   2HH2  ARG  25          1HH1      ARG  25  -9.394  -7.394  -3.167
  185    H    HIS  26           H        HIS  26  -0.791  -4.573  -1.470
  186    HA   HIS  26           HA       HIS  26   0.349  -6.700  -2.998
  187   1HB   HIS  26          1HB       HIS  26   0.517  -3.985  -3.061
  188   2HB   HIS  26          2HB       HIS  26   2.052  -4.338  -2.289
  189    HD1  HIS  26           1HD      HIS  26   3.679  -3.898  -4.356
  190    HE1  HIS  26           1HE      HIS  26   1.799  -6.408  -7.233
  191    H    TYR  27           H        TYR  27   0.866  -5.700   0.297
  192    HA   TYR  27           HA       TYR  27   3.352  -7.085   0.759
  193   1HB   TYR  27          1HB       TYR  27   1.915  -5.109   2.010
  194   2HB   TYR  27          2HB       TYR  27   1.464  -6.467   3.009
  195    HD1  TYR  27           1HD      TYR  27   4.220  -4.378   1.746
  196    HD2  TYR  27           2HD      TYR  27   3.108  -7.539   4.441
  197    HE1  TYR  27           1HE      TYR  27   6.367  -4.058   2.992
  198    HE2  TYR  27           2HE      TYR  27   5.246  -7.189   5.738
  199    HH   TYR  27           HH       TYR  27   6.935  -5.532   6.089
  200    H    LEU  28           H        LEU  28  -0.032  -7.753   1.756
  201    HA   LEU  28           HA       LEU  28   0.522 -10.420   2.717
  202   1HB   LEU  28          1HB       LEU  28  -2.047 -10.721   2.194
  203   2HB   LEU  28          2HB       LEU  28  -1.436  -9.850   3.568
  204    HG   LEU  28           HG       LEU  28  -1.922  -8.184   1.198
  205   1HD1  LEU  28          1HD1      LEU  28  -4.363  -7.986   1.762
  206   2HD1  LEU  28          2HD1      LEU  28  -3.885  -9.506   0.973
  207   3HD1  LEU  28          3HD1      LEU  28  -4.190  -9.464   2.731
  208   1HD2  LEU  28          1HD2      LEU  28  -2.779  -7.822   4.101
  209   2HD2  LEU  28          2HD2      LEU  28  -1.190  -7.341   3.493
  210   3HD2  LEU  28          3HD2      LEU  28  -2.652  -6.572   2.848
  211    H    ASN  29           H        ASN  29  -0.137  -9.217  -0.556
  212    HA   ASN  29           HA       ASN  29  -0.195 -11.927  -1.675
  213   1HB   ASN  29          1HB       ASN  29  -0.103  -9.119  -2.798
  214   2HB   ASN  29          2HB       ASN  29   0.183 -10.507  -3.839
  215   1HD2  ASN  29          1HD2      ASN  29  -2.030  -8.776  -4.264
  216   2HD2  ASN  29          2HD2      ASN  29  -3.445  -9.804  -3.964
  217    H    LEU  30           H        LEU  30   2.367  -9.934  -0.545
  218    HA   LEU  30           HA       LEU  30   4.419 -11.142  -2.287
  219   1HB   LEU  30          1HB       LEU  30   4.897  -8.906  -1.864
  220   2HB   LEU  30          2HB       LEU  30   4.246  -8.941  -0.256
  221    HG   LEU  30           HG       LEU  30   6.262 -10.356   0.436
  222   1HD1  LEU  30          1HD1      LEU  30   7.754  -9.118  -1.847
  223   2HD1  LEU  30          2HD1      LEU  30   8.071 -10.620  -0.934
  224   3HD1  LEU  30          3HD1      LEU  30   6.829 -10.598  -2.191
  225   1HD2  LEU  30          1HD2      LEU  30   6.720  -7.494  -0.410
  226   2HD2  LEU  30          2HD2      LEU  30   5.907  -8.021   1.072
  227   3HD2  LEU  30          3HD2      LEU  30   7.617  -8.408   0.823
  228    H    VAL  31           H        VAL  31   3.156 -11.423   0.999
  229    HA   VAL  31           HA       VAL  31   5.046 -13.692   1.502
  230    HB   VAL  31           HB       VAL  31   3.417 -12.316   3.636
  231   1HG1  VAL  31          1HG1      VAL  31   5.411 -14.452   3.607
  232   2HG1  VAL  31          2HG1      VAL  31   6.021 -13.094   4.540
  233   3HG1  VAL  31          3HG1      VAL  31   4.458 -13.815   4.957
  234   1HG2  VAL  31          1HG2      VAL  31   4.640 -10.484   2.597
  235   2HG2  VAL  31          2HG2      VAL  31   5.415 -10.899   4.123
  236   3HG2  VAL  31          3HG2      VAL  31   6.137 -11.446   2.590
  237    H    THR  32           H        THR  32   1.825 -13.202   0.640
  238    HA   THR  32           HA       THR  32  -0.088 -14.394   0.675
  239    HB   THR  32           HB       THR  32   1.063 -15.461  -1.046
  240    HG1  THR  32           1HG      THR  32  -0.746 -16.533  -0.869
  241   1HG2  THR  32          1HG2      THR  32   2.260 -17.666  -0.689
  242   2HG2  THR  32          2HG2      THR  32   3.124 -16.210  -0.175
  243   3HG2  THR  32          3HG2      THR  32   2.332 -17.252   1.037
  244    H    ARG  33           H        ARG  33   1.001 -13.887   3.257
  245    HA   ARG  33           HA       ARG  33  -0.668 -15.606   4.903
  246   1HB   ARG  33          1HB       ARG  33   1.745 -16.772   4.253
  247   2HB   ARG  33          2HB       ARG  33   2.206 -15.897   5.699
  248   1HG   ARG  33          1HG       ARG  33  -0.123 -16.952   6.602
  249   2HG   ARG  33          2HG       ARG  33   0.164 -18.103   5.300
  250   1HD   ARG  33          1HD       ARG  33   2.302 -17.457   7.385
  251   2HD   ARG  33          2HD       ARG  33   0.995 -18.577   7.736
  252    HE   ARG  33           HE       ARG  33   1.881 -20.175   6.362
  253   1HH1  ARG  33          2HH2      ARG  33   3.685 -17.249   5.709
  254   2HH1  ARG  33          1HH2      ARG  33   4.919 -18.071   4.790
  255   1HH2  ARG  33          2HH1      ARG  33   3.494 -21.224   5.248
  256   2HH2  ARG  33          1HH1      ARG  33   4.824 -20.313   4.620
  257    H    GLN  34           H        GLN  34  -0.480 -12.761   4.622
  258    HA   GLN  34           HA       GLN  34   0.344 -12.010   7.386
  259   1HB   GLN  34          1HB       GLN  34   1.812 -11.293   5.247
  260   2HB   GLN  34          2HB       GLN  34   0.678  -9.966   5.204
  261   1HG   GLN  34          1HG       GLN  34   1.817 -10.607   7.919
  262   2HG   GLN  34          2HG       GLN  34   2.977 -10.095   6.707
  263   1HE2  GLN  34          1HE2      GLN  34   3.323  -7.909   6.589
  264   2HE2  GLN  34          2HE2      GLN  34   2.115  -6.733   7.106
  265    H    ARG  35           H        ARG  35  -1.676 -12.132   8.263
  266    HA   ARG  35           HA       ARG  35  -3.712 -10.238   7.153
  267   1HB   ARG  35          1HB       ARG  35  -4.005 -12.933   8.507
  268   2HB   ARG  35          2HB       ARG  35  -5.235 -11.715   8.773
  269   1HG   ARG  35          1HG       ARG  35  -6.225 -12.286   6.867
  270   2HG   ARG  35          2HG       ARG  35  -4.877 -11.589   5.995
  271   1HD   ARG  35          1HD       ARG  35  -3.926 -14.136   6.667
  272   2HD   ARG  35          2HD       ARG  35  -5.638 -14.424   6.378
  273    HE   ARG  35           HE       ARG  35  -3.570 -13.696   4.453
  274   1HH1  ARG  35          2HH2      ARG  35  -7.051 -13.634   4.893
  275   2HH1  ARG  35          1HH2      ARG  35  -7.340 -13.367   3.180
  276   1HH2  ARG  35          2HH1      ARG  35  -4.035 -13.505   2.256
  277   2HH2  ARG  35          1HH1      ARG  35  -5.692 -13.281   1.767
  278    H    TYR  36           H        TYR  36  -4.950  -9.097   8.570
  279    HA   TYR  36           HA       TYR  36  -3.549  -7.754  10.659
  280   1HB   TYR  36          1HB       TYR  36  -5.409  -6.899   9.136
  281   2HB   TYR  36          2HB       TYR  36  -6.550  -7.809  10.112
  282    HD1  TYR  36           1HD      TYR  36  -4.806  -4.713   9.712
  283    HD2  TYR  36           2HD      TYR  36  -6.566  -7.279  12.714
  284    HE1  TYR  36           1HE      TYR  36  -4.908  -2.803  11.289
  285    HE2  TYR  36           2HE      TYR  36  -6.641  -5.363  14.295
  286    HH   TYR  36           HH       TYR  36  -5.207  -2.234  13.486
  287   1HN   NH2  37          NH1       NHE  37  -6.312 -10.153  10.851
  288   2HN   NH2  37          NH2       NHE  37  -5.995 -10.464  12.556
  Start of MODEL   19
    1   1H    TYR   1          1H        TYR   1   7.525  -5.418   2.873
    2   2H    TYR   1          2H        TYR   1   8.290  -6.162   1.611
    3   3H    TYR   1          3H        TYR   1   7.922  -7.004   2.988
    4    HA   TYR   1           HA       TYR   1  10.297  -6.358   2.768
    5   1HB   TYR   1          1HB       TYR   1   8.924  -3.681   2.931
    6   2HB   TYR   1          2HB       TYR   1  10.470  -3.878   3.735
    7    HD1  TYR   1           1HD      TYR   1   8.855  -3.374   0.505
    8    HD2  TYR   1           2HD      TYR   1  12.495  -4.665   2.440
    9    HE1  TYR   1           1HE      TYR   1  10.087  -3.102  -1.618
   10    HE2  TYR   1           2HE      TYR   1  13.721  -4.393   0.298
   11    HH   TYR   1           HH       TYR   1  12.259  -2.920  -2.530
   12    HA   PRO   2           HA       PRO   2   9.853  -7.162   7.154
   13   1HB   PRO   2          1HB       PRO   2  12.524  -7.209   7.865
   14   2HB   PRO   2          2HB       PRO   2  11.692  -8.540   7.024
   15   1HG   PRO   2          1HG       PRO   2  13.606  -6.526   5.917
   16   2HG   PRO   2          2HG       PRO   2  13.286  -8.205   5.390
   17   1HD   PRO   2          1HD       PRO   2  12.265  -5.798   4.257
   18   2HD   PRO   2          2HD       PRO   2  11.762  -7.465   3.849
   19    H    ALA   3           H        ALA   3  10.817  -6.164   9.238
   20    HA   ALA   3           HA       ALA   3  10.875  -4.407  10.673
   21   1HB   ALA   3          1HB       ALA   3  13.015  -3.821  10.153
   22   2HB   ALA   3          2HB       ALA   3  12.651  -3.432   8.460
   23   3HB   ALA   3          3HB       ALA   3  12.198  -2.308   9.741
   24    H    LYS   4           H        LYS   4   8.562  -4.675  10.110
   25    HA   LYS   4           HA       LYS   4   6.461  -3.859  10.058
   26   1HB   LYS   4          1HB       LYS   4   7.805  -1.119  10.172
   27   2HB   LYS   4          2HB       LYS   4   6.093  -1.354  10.361
   28   1HG   LYS   4          1HG       LYS   4   8.182  -2.626  12.183
   29   2HG   LYS   4          2HG       LYS   4   7.380  -1.102  12.503
   30   1HD   LYS   4          1HD       LYS   4   5.416  -3.234  11.933
   31   2HD   LYS   4          2HD       LYS   4   6.511  -3.675  13.248
   32   1HE   LYS   4          1HE       LYS   4   5.990  -1.387  14.281
   33   2HE   LYS   4          2HE       LYS   4   4.756  -1.198  13.035
   34   1HZ   LYS   4          1HZ       LYS   4   3.562  -2.129  14.757
   35   2HZ   LYS   4          2HZ       LYS   4   3.959  -3.484  13.948
   36   3HZ   LYS   4          3HZ       LYS   4   4.805  -3.056  15.311
   37    HA   PRO   5           HA       PRO   5   5.547  -3.254   5.839
   38   1HB   PRO   5          1HB       PRO   5   3.065  -1.945   5.818
   39   2HB   PRO   5          2HB       PRO   5   3.314  -3.692   6.018
   40   1HG   PRO   5          1HG       PRO   5   2.592  -1.676   8.060
   41   2HG   PRO   5          2HG       PRO   5   2.364  -3.450   8.081
   42   1HD   PRO   5          1HD       PRO   5   4.353  -1.934   9.427
   43   2HD   PRO   5          2HD       PRO   5   4.282  -3.715   9.312
   44    H    GLU   6           H        GLU   6   5.017  -1.620   4.094
   45    HA   GLU   6           HA       GLU   6   6.807   0.561   4.370
   46   1HB   GLU   6          1HB       GLU   6   5.919  -0.668   2.237
   47   2HB   GLU   6          2HB       GLU   6   4.582   0.481   2.312
   48   1HG   GLU   6          1HG       GLU   6   5.846   2.210   1.606
   49   2HG   GLU   6          2HG       GLU   6   7.210   1.808   2.635
   50    H    ALA   7           H        ALA   7   6.317   2.901   4.220
   51    HA   ALA   7           HA       ALA   7   3.709   3.681   5.318
   52   1HB   ALA   7          1HB       ALA   7   6.252   4.587   6.707
   53   2HB   ALA   7          2HB       ALA   7   4.575   4.654   7.288
   54   3HB   ALA   7          3HB       ALA   7   5.412   3.099   7.192
   55    HA   PRO   8           HA       PRO   8   4.639   7.227   2.745
   56   1HB   PRO   8          1HB       PRO   8   2.897   9.092   3.775
   57   2HB   PRO   8          2HB       PRO   8   2.386   7.706   2.766
   58   1HG   PRO   8          1HG       PRO   8   2.118   8.049   5.729
   59   2HG   PRO   8          2HG       PRO   8   1.068   7.171   4.576
   60   1HD   PRO   8          1HD       PRO   8   3.050   6.051   6.261
   61   2HD   PRO   8          2HD       PRO   8   2.235   5.231   4.897
   62    H    GLY   9           H        GLY   9   5.938   9.079   2.775
   63   1HA   GLY   9          1HA       GLY   9   6.589  10.546   5.166
   64   2HA   GLY   9          2HA       GLY   9   7.877   9.421   4.686
   65    H    GLU  10           H        GLU  10   7.628  12.421   4.601
   66    HA   GLU  10           HA       GLU  10   8.501  14.124   3.399
   67   1HB   GLU  10          1HB       GLU  10  10.099  12.316   2.463
   68   2HB   GLU  10          2HB       GLU  10   9.082  12.328   1.030
   69   1HG   GLU  10          1HG       GLU  10  10.760  13.845   0.494
   70   2HG   GLU  10          2HG       GLU  10   9.427  14.889   0.977
   71    H    ASP  11           H        ASP  11   6.578  15.208   3.311
   72    HA   ASP  11           HA       ASP  11   4.613  16.041   2.549
   73   1HB   ASP  11          1HB       ASP  11   6.143  16.838   0.732
   74   2HB   ASP  11          2HB       ASP  11   5.642  15.468  -0.255
   75    H    ALA  12           H        ALA  12   3.846  14.019   3.651
   76    HA   ALA  12           HA       ALA  12   2.694  11.873   2.120
   77   1HB   ALA  12          1HB       ALA  12   3.258  11.618   4.487
   78   2HB   ALA  12          2HB       ALA  12   2.093  12.888   4.930
   79   3HB   ALA  12          3HB       ALA  12   1.522  11.353   4.239
   80    H    SER  13           H        SER  13   1.938  13.462   0.514
   81    HA   SER  13           HA       SER  13  -0.305  15.118   0.748
   82   1HB   SER  13          1HB       SER  13   0.021  15.431  -1.494
   83   2HB   SER  13          2HB       SER  13   1.533  14.598  -1.166
   84    HG   SER  13           HG       SER  13   0.859  13.186  -2.561
   85    HA   PRO  14           HA       PRO  14  -3.832  12.426   0.666
   86   1HB   PRO  14          1HB       PRO  14  -5.523  13.354  -1.306
   87   2HB   PRO  14          2HB       PRO  14  -5.278  14.143   0.278
   88   1HG   PRO  14          1HG       PRO  14  -4.199  14.937  -2.400
   89   2HG   PRO  14          2HG       PRO  14  -4.621  15.963  -0.999
   90   1HD   PRO  14          1HD       PRO  14  -2.059  15.101  -1.762
   91   2HD   PRO  14          2HD       PRO  14  -2.466  15.830  -0.182
   92    H    GLU  15           H        GLU  15  -1.902  12.655  -2.231
   93    HA   GLU  15           HA       GLU  15  -3.071  10.315  -3.550
   94   1HB   GLU  15          1HB       GLU  15  -1.318  12.429  -4.300
   95   2HB   GLU  15          2HB       GLU  15  -0.327  10.970  -4.352
   96   1HG   GLU  15          1HG       GLU  15  -2.026   9.863  -5.775
   97   2HG   GLU  15          2HG       GLU  15  -3.052  11.301  -5.691
   98    H    GLU  16           H        GLU  16  -0.520  10.979  -1.147
   99    HA   GLU  16           HA       GLU  16   0.741   8.424  -1.324
  100   1HB   GLU  16          1HB       GLU  16   1.032  10.801   0.300
  101   2HB   GLU  16          2HB       GLU  16   0.833   9.436   1.380
  102   1HG   GLU  16          1HG       GLU  16   3.060   9.219   1.136
  103   2HG   GLU  16          2HG       GLU  16   2.643   8.342  -0.318
  104    H    LEU  17           H        LEU  17  -2.217   9.480   0.328
  105    HA   LEU  17           HA       LEU  17  -2.529   7.205   2.011
  106   1HB   LEU  17          1HB       LEU  17  -4.095   9.468   1.319
  107   2HB   LEU  17          2HB       LEU  17  -5.044   8.086   0.788
  108    HG   LEU  17           HG       LEU  17  -4.471   7.093   3.163
  109   1HD1  LEU  17          1HD1      LEU  17  -4.154  10.064   3.771
  110   2HD1  LEU  17          2HD1      LEU  17  -4.013   8.703   4.901
  111   3HD1  LEU  17          3HD1      LEU  17  -2.794   8.949   3.637
  112   1HD2  LEU  17          1HD2      LEU  17  -6.665   8.656   2.191
  113   2HD2  LEU  17          2HD2      LEU  17  -6.634   7.467   3.499
  114   3HD2  LEU  17          3HD2      LEU  17  -6.349   9.181   3.850
  115    H    SER  18           H        SER  18  -3.133   7.570  -1.441
  116    HA   SER  18           HA       SER  18  -4.485   4.994  -1.785
  117   1HB   SER  18          1HB       SER  18  -3.108   6.781  -3.833
  118   2HB   SER  18          2HB       SER  18  -4.144   5.384  -4.188
  119    HG   SER  18           HG       SER  18  -4.974   7.618  -2.662
  120    H    ARG  19           H        ARG  19  -1.160   6.034  -1.509
  121    HA   ARG  19           HA       ARG  19   0.057   3.671  -2.699
  122   1HB   ARG  19          1HB       ARG  19   1.974   4.804  -2.426
  123   2HB   ARG  19          2HB       ARG  19   0.956   6.164  -2.054
  124   1HG   ARG  19          1HG       ARG  19   2.412   6.295  -0.331
  125   2HG   ARG  19          2HG       ARG  19   1.232   5.318   0.493
  126   1HD   ARG  19          1HD       ARG  19   2.625   3.609   0.752
  127   2HD   ARG  19          2HD       ARG  19   3.134   3.661  -0.937
  128    HE   ARG  19           HE       ARG  19   4.189   5.738   0.931
  129   1HH1  ARG  19          2HH2      ARG  19   4.802   3.037  -1.085
  130   2HH1  ARG  19          1HH2      ARG  19   6.435   2.835  -0.670
  131   1HH2  ARG  19          2HH1      ARG  19   6.425   5.791   1.296
  132   2HH2  ARG  19          1HH1      ARG  19   7.441   4.795   0.306
  133    H    TYR  20           H        TYR  20  -1.080   4.597   0.488
  134    HA   TYR  20           HA       TYR  20   0.155   2.438   1.958
  135   1HB   TYR  20          1HB       TYR  20  -0.568   4.588   2.963
  136   2HB   TYR  20          2HB       TYR  20  -2.250   4.186   2.636
  137    HD1  TYR  20           1HD      TYR  20   0.692   3.427   4.734
  138    HD2  TYR  20           2HD      TYR  20  -3.440   2.467   3.954
  139    HE1  TYR  20           1HE      TYR  20   0.552   2.232   6.916
  140    HE2  TYR  20           2HE      TYR  20  -3.576   1.272   6.116
  141    HH   TYR  20           HH       TYR  20  -2.388   0.512   7.941
  142    H    TYR  21           H        TYR  21  -3.179   3.003   0.826
  143    HA   TYR  21           HA       TYR  21  -4.286   0.493   1.572
  144   1HB   TYR  21          1HB       TYR  21  -4.975   2.657  -0.415
  145   2HB   TYR  21          2HB       TYR  21  -5.786   1.109  -0.546
  146    HD1  TYR  21           1HD      TYR  21  -7.831   0.901   0.478
  147    HD2  TYR  21           2HD      TYR  21  -4.920   3.582   2.207
  148    HE1  TYR  21           1HE      TYR  21  -9.442   1.498   2.282
  149    HE2  TYR  21           2HE      TYR  21  -6.513   4.138   4.025
  150    HH   TYR  21           HH       TYR  21  -8.506   3.442   5.068
  151    H    ALA  22           H        ALA  22  -2.728   1.469  -1.541
  152    HA   ALA  22           HA       ALA  22  -3.013  -1.111  -2.743
  153   1HB   ALA  22          1HB       ALA  22  -1.705  -0.243  -4.482
  154   2HB   ALA  22          2HB       ALA  22  -2.481   1.197  -3.819
  155   3HB   ALA  22          3HB       ALA  22  -0.792   0.843  -3.408
  156    H    SER  23           H        SER  23  -0.307   0.371  -0.863
  157    HA   SER  23           HA       SER  23   1.471  -1.814  -0.954
  158   1HB   SER  23          1HB       SER  23   2.333   0.200  -0.120
  159   2HB   SER  23          2HB       SER  23   1.030   0.392   1.066
  160    HG   SER  23           HG       SER  23   2.851  -1.783   1.167
  161    H    LEU  24           H        LEU  24  -1.246  -1.255   1.368
  162    HA   LEU  24           HA       LEU  24  -0.819  -3.463   3.013
  163   1HB   LEU  24          1HB       LEU  24  -2.691  -2.718   3.958
  164   2HB   LEU  24          2HB       LEU  24  -2.827  -1.547   2.673
  165    HG   LEU  24           HG       LEU  24  -4.224  -3.291   1.392
  166   1HD1  LEU  24          1HD1      LEU  24  -4.999  -5.202   2.386
  167   2HD1  LEU  24          2HD1      LEU  24  -3.484  -5.114   3.294
  168   3HD1  LEU  24          3HD1      LEU  24  -4.965  -4.516   4.027
  169   1HD2  LEU  24          1HD2      LEU  24  -5.203  -1.322   2.420
  170   2HD2  LEU  24          2HD2      LEU  24  -6.266  -2.726   2.544
  171   3HD2  LEU  24          3HD2      LEU  24  -5.349  -2.177   3.968
  172    H    ARG  25           H        ARG  25  -2.548  -3.465  -0.097
  173    HA   ARG  25           HA       ARG  25  -3.077  -6.320  -0.105
  174   1HB   ARG  25          1HB       ARG  25  -4.302  -4.530  -1.459
  175   2HB   ARG  25          2HB       ARG  25  -2.873  -4.448  -2.494
  176   1HG   ARG  25          1HG       ARG  25  -3.338  -7.161  -2.562
  177   2HG   ARG  25          2HG       ARG  25  -4.961  -6.586  -2.209
  178   1HD   ARG  25          1HD       ARG  25  -4.350  -4.868  -4.195
  179   2HD   ARG  25          2HD       ARG  25  -3.216  -6.165  -4.629
  180    HE   ARG  25           HE       ARG  25  -5.548  -7.535  -4.306
  181   1HH1  ARG  25          2HH2      ARG  25  -4.891  -4.636  -6.140
  182   2HH1  ARG  25          1HH2      ARG  25  -6.201  -4.881  -7.253
  183   1HH2  ARG  25          2HH1      ARG  25  -7.190  -7.888  -5.811
  184   2HH2  ARG  25          1HH1      ARG  25  -7.461  -6.727  -7.076
  185    H    HIS  26           H        HIS  26  -0.547  -4.262  -1.575
  186    HA   HIS  26           HA       HIS  26   0.851  -6.386  -2.852
  187   1HB   HIS  26          1HB       HIS  26   1.077  -3.682  -2.908
  188   2HB   HIS  26          2HB       HIS  26   2.422  -4.041  -1.840
  189    HD1  HIS  26           1HD      HIS  26   4.509  -3.832  -3.459
  190    HE1  HIS  26           1HE      HIS  26   3.070  -6.050  -6.788
  191    H    TYR  27           H        TYR  27   0.924  -5.298   0.488
  192    HA   TYR  27           HA       TYR  27   3.145  -6.827   1.384
  193   1HB   TYR  27          1HB       TYR  27   1.695  -4.854   2.471
  194   2HB   TYR  27          2HB       TYR  27   0.824  -6.185   3.192
  195    HD1  TYR  27           1HD      TYR  27   4.248  -4.858   2.590
  196    HD2  TYR  27           2HD      TYR  27   1.639  -7.029   5.242
  197    HE1  TYR  27           1HE      TYR  27   6.045  -4.879   4.362
  198    HE2  TYR  27           2HE      TYR  27   3.405  -7.018   7.002
  199    HH   TYR  27           HH       TYR  27   5.567  -6.458   7.510
  200    H    LEU  28           H        LEU  28  -0.373  -7.471   1.589
  201    HA   LEU  28           HA       LEU  28  -0.241 -10.142   2.576
  202   1HB   LEU  28          1HB       LEU  28  -2.348  -9.197   2.662
  203   2HB   LEU  28          2HB       LEU  28  -2.209  -8.470   1.076
  204    HG   LEU  28           HG       LEU  28  -2.509 -10.715   0.018
  205   1HD1  LEU  28          1HD1      LEU  28  -1.818 -12.183   1.909
  206   2HD1  LEU  28          2HD1      LEU  28  -3.231 -11.641   2.837
  207   3HD1  LEU  28          3HD1      LEU  28  -3.436 -12.563   1.328
  208   1HD2  LEU  28          1HD2      LEU  28  -4.794 -10.015   1.879
  209   2HD2  LEU  28          2HD2      LEU  28  -4.350  -9.050   0.454
  210   3HD2  LEU  28          3HD2      LEU  28  -4.861 -10.731   0.249
  211    H    ASN  29           H        ASN  29  -0.228  -8.965  -0.830
  212    HA   ASN  29           HA       ASN  29   0.133 -11.612  -1.920
  213   1HB   ASN  29          1HB       ASN  29  -0.291  -8.926  -2.911
  214   2HB   ASN  29          2HB       ASN  29   1.096  -9.596  -3.740
  215   1HD2  ASN  29          1HD2      ASN  29   0.507 -10.582  -5.637
  216   2HD2  ASN  29          2HD2      ASN  29  -1.077 -11.295  -5.888
  217    H    LEU  30           H        LEU  30   2.416  -9.481  -0.472
  218    HA   LEU  30           HA       LEU  30   4.798 -10.585  -1.758
  219   1HB   LEU  30          1HB       LEU  30   5.116  -8.433  -1.164
  220   2HB   LEU  30          2HB       LEU  30   4.108  -8.488   0.242
  221    HG   LEU  30           HG       LEU  30   6.631 -10.027   0.548
  222   1HD1  LEU  30          1HD1      LEU  30   6.676  -6.998   0.561
  223   2HD1  LEU  30          2HD1      LEU  30   8.037  -8.158   0.832
  224   3HD1  LEU  30          3HD1      LEU  30   7.313  -7.988  -0.761
  225   1HD2  LEU  30          1HD2      LEU  30   4.826  -9.546   2.323
  226   2HD2  LEU  30          2HD2      LEU  30   6.486  -9.146   2.787
  227   3HD2  LEU  30          3HD2      LEU  30   5.346  -7.872   2.296
  228    H    VAL  31           H        VAL  31   3.037 -11.138   1.267
  229    HA   VAL  31           HA       VAL  31   4.872 -13.436   1.902
  230    HB   VAL  31           HB       VAL  31   3.035 -11.713   3.545
  231   1HG1  VAL  31          1HG1      VAL  31   3.548 -13.115   5.548
  232   2HG1  VAL  31          2HG1      VAL  31   2.459 -13.893   4.409
  233   3HG1  VAL  31          3HG1      VAL  31   4.161 -14.381   4.462
  234   1HG2  VAL  31          1HG2      VAL  31   5.669 -12.416   4.648
  235   2HG2  VAL  31          2HG2      VAL  31   5.822 -11.742   3.031
  236   3HG2  VAL  31          3HG2      VAL  31   4.966 -10.831   4.289
  237    H    THR  32           H        THR  32   1.862 -12.907   0.426
  238    HA   THR  32           HA       THR  32   0.106 -14.157  -0.134
  239    HB   THR  32           HB       THR  32   1.498 -15.228  -1.650
  240    HG1  THR  32           1HG      THR  32  -0.094 -16.886  -0.083
  241   1HG2  THR  32          1HG2      THR  32   2.476 -17.114   0.525
  242   2HG2  THR  32          2HG2      THR  32   2.787 -17.285  -1.216
  243   3HG2  THR  32          3HG2      THR  32   3.437 -15.897  -0.349
  244    H    ARG  33           H        ARG  33   0.654 -13.856   2.692
  245    HA   ARG  33           HA       ARG  33  -1.333 -15.627   3.854
  246   1HB   ARG  33          1HB       ARG  33   1.028 -16.909   3.510
  247   2HB   ARG  33          2HB       ARG  33   1.406 -16.148   5.044
  248   1HG   ARG  33          1HG       ARG  33  -0.578 -17.205   6.079
  249   2HG   ARG  33          2HG       ARG  33  -1.144 -17.735   4.482
  250   1HD   ARG  33          1HD       ARG  33   1.235 -18.923   4.405
  251   2HD   ARG  33          2HD       ARG  33   1.086 -18.839   6.171
  252    HE   ARG  33           HE       ARG  33  -1.310 -19.866   5.520
  253   1HH1  ARG  33          2HH2      ARG  33   1.828 -20.861   4.357
  254   2HH1  ARG  33          1HH2      ARG  33   1.345 -22.512   4.069
  255   1HH2  ARG  33          2HH1      ARG  33  -1.946 -21.934   5.027
  256   2HH2  ARG  33          1HH1      ARG  33  -0.795 -23.085   4.419
  257    H    GLN  34           H        GLN  34  -0.987 -12.798   3.843
  258    HA   GLN  34           HA       GLN  34  -0.675 -12.278   6.761
  259   1HB   GLN  34          1HB       GLN  34   1.202 -11.444   4.998
  260   2HB   GLN  34          2HB       GLN  34   0.107 -10.083   4.876
  261   1HG   GLN  34          1HG       GLN  34   1.128  -9.272   6.719
  262   2HG   GLN  34          2HG       GLN  34   0.261 -10.485   7.652
  263   1HE2  GLN  34          1HE2      GLN  34   3.412  -9.578   6.262
  264   2HE2  GLN  34          2HE2      GLN  34   4.252 -10.905   7.074
  265    H    ARG  35           H        ARG  35  -2.901 -12.509   7.016
  266    HA   ARG  35           HA       ARG  35  -4.867 -10.978   5.526
  267   1HB   ARG  35          1HB       ARG  35  -4.941 -12.306   8.278
  268   2HB   ARG  35          2HB       ARG  35  -6.248 -11.281   7.704
  269   1HG   ARG  35          1HG       ARG  35  -7.091 -13.258   7.017
  270   2HG   ARG  35          2HG       ARG  35  -6.227 -12.801   5.561
  271   1HD   ARG  35          1HD       ARG  35  -5.085 -14.724   5.640
  272   2HD   ARG  35          2HD       ARG  35  -4.335 -14.244   7.156
  273    HE   ARG  35           HE       ARG  35  -6.545 -16.118   6.762
  274   1HH1  ARG  35          2HH2      ARG  35  -4.976 -14.174   9.242
  275   2HH1  ARG  35          1HH2      ARG  35  -5.632 -15.128  10.536
  276   1HH2  ARG  35          2HH1      ARG  35  -7.431 -17.252   8.470
  277   2HH2  ARG  35          1HH1      ARG  35  -7.034 -16.769  10.097
  278    H    TYR  36           H        TYR  36  -5.435  -8.942   5.674
  279    HA   TYR  36           HA       TYR  36  -5.370  -6.710   6.168
  280   1HB   TYR  36          1HB       TYR  36  -7.026  -7.289   7.687
  281   2HB   TYR  36          2HB       TYR  36  -5.923  -8.074   8.788
  282    HD1  TYR  36           1HD      TYR  36  -5.109  -6.984  10.666
  283    HD2  TYR  36           2HD      TYR  36  -6.741  -4.653   7.431
  284    HE1  TYR  36           1HE      TYR  36  -4.941  -4.929  12.069
  285    HE2  TYR  36           2HE      TYR  36  -6.583  -2.602   8.828
  286    HH   TYR  36           HH       TYR  36  -6.223  -1.803  10.948
  287   1HN   NH2  37          NH1       NHE  37  -3.117  -6.422   5.353
  288   2HN   NH2  37          NH2       NHE  37  -1.934  -6.024   6.598
  Start of MODEL   20
    1   1H    TYR   1          1H        TYR   1  15.949 -11.734  10.236
    2   2H    TYR   1          2H        TYR   1  14.366 -12.174  10.043
    3   3H    TYR   1          3H        TYR   1  15.117 -11.330   8.859
    4    HA   TYR   1           HA       TYR   1  14.555 -10.307  11.551
    5   1HB   TYR   1          1HB       TYR   1  16.039  -9.178   9.176
    6   2HB   TYR   1          2HB       TYR   1  15.124  -8.098  10.206
    7    HD1  TYR   1           1HD      TYR   1  18.208 -10.045   9.948
    8    HD2  TYR   1           2HD      TYR   1  15.615  -7.899  12.665
    9    HE1  TYR   1           1HE      TYR   1  20.047  -9.887  11.621
   10    HE2  TYR   1           2HE      TYR   1  17.441  -7.721  14.290
   11    HH   TYR   1           HH       TYR   1  19.783  -7.897  14.503
   12    HA   PRO   2           HA       PRO   2  10.576  -9.374   9.811
   13   1HB   PRO   2          1HB       PRO   2   9.801  -7.249  11.417
   14   2HB   PRO   2          2HB       PRO   2   9.753  -8.961  11.914
   15   1HG   PRO   2          1HG       PRO   2  11.690  -6.837  12.713
   16   2HG   PRO   2          2HG       PRO   2  11.191  -8.310  13.589
   17   1HD   PRO   2          1HD       PRO   2  13.549  -7.892  12.028
   18   2HD   PRO   2          2HD       PRO   2  13.013  -9.433  12.760
   19    H    ALA   3           H        ALA   3   9.390  -7.582   8.815
   20    HA   ALA   3           HA       ALA   3  10.911  -5.222   7.937
   21   1HB   ALA   3          1HB       ALA   3  10.429  -5.703   5.571
   22   2HB   ALA   3          2HB       ALA   3  11.435  -6.982   6.269
   23   3HB   ALA   3          3HB       ALA   3   9.698  -7.259   6.011
   24    H    LYS   4           H        LYS   4   9.511  -3.894   9.008
   25    HA   LYS   4           HA       LYS   4   6.637  -4.287   9.013
   26   1HB   LYS   4          1HB       LYS   4   8.338  -1.856   9.773
   27   2HB   LYS   4          2HB       LYS   4   6.600  -1.930   9.952
   28   1HG   LYS   4          1HG       LYS   4   7.036  -2.678  12.019
   29   2HG   LYS   4          2HG       LYS   4   7.144  -4.236  11.238
   30   1HD   LYS   4          1HD       LYS   4   9.294  -4.470  11.860
   31   2HD   LYS   4          2HD       LYS   4   9.769  -2.972  11.071
   32   1HE   LYS   4          1HE       LYS   4   8.564  -3.202  13.856
   33   2HE   LYS   4          2HE       LYS   4  10.283  -2.974  13.487
   34   1HZ   LYS   4          1HZ       LYS   4   8.933  -0.962  12.141
   35   2HZ   LYS   4          2HZ       LYS   4   8.222  -1.008  13.609
   36   3HZ   LYS   4          3HZ       LYS   4   9.852  -0.791  13.483
   37    HA   PRO   5           HA       PRO   5   5.679  -2.434   5.180
   38   1HB   PRO   5          1HB       PRO   5   3.193  -1.350   5.624
   39   2HB   PRO   5          2HB       PRO   5   3.510  -3.074   5.397
   40   1HG   PRO   5          1HG       PRO   5   2.901  -1.599   7.915
   41   2HG   PRO   5          2HG       PRO   5   2.584  -3.304   7.492
   42   1HD   PRO   5          1HD       PRO   5   4.690  -2.285   9.074
   43   2HD   PRO   5          2HD       PRO   5   4.570  -3.943   8.422
   44    H    GLU   6           H        GLU   6   6.020  -0.598   4.017
   45    HA   GLU   6           HA       GLU   6   7.273   1.594   5.274
   46   1HB   GLU   6          1HB       GLU   6   7.231   0.705   2.722
   47   2HB   GLU   6          2HB       GLU   6   5.990   1.926   2.574
   48   1HG   GLU   6          1HG       GLU   6   7.716   3.344   2.180
   49   2HG   GLU   6          2HG       GLU   6   7.913   3.364   3.926
   50    H    ALA   7           H        ALA   7   6.586   3.779   5.548
   51    HA   ALA   7           HA       ALA   7   3.960   4.759   5.062
   52   1HB   ALA   7          1HB       ALA   7   2.753   3.751   6.619
   53   2HB   ALA   7          2HB       ALA   7   4.169   3.073   7.450
   54   3HB   ALA   7          3HB       ALA   7   3.607   4.722   7.827
   55    HA   PRO   8           HA       PRO   8   7.170   7.855   6.163
   56   1HB   PRO   8          1HB       PRO   8   6.388   9.720   4.245
   57   2HB   PRO   8          2HB       PRO   8   7.617   8.446   4.021
   58   1HG   PRO   8          1HG       PRO   8   4.819   8.518   2.987
   59   2HG   PRO   8          2HG       PRO   8   6.239   7.657   2.349
   60   1HD   PRO   8          1HD       PRO   8   4.073   6.664   3.906
   61   2HD   PRO   8          2HD       PRO   8   5.564   5.771   3.472
   62    H    GLY   9           H        GLY   9   6.847   9.375   7.691
   63   1HA   GLY   9          1HA       GLY   9   4.076  10.345   8.281
   64   2HA   GLY   9          2HA       GLY   9   5.327  10.022   9.493
   65    H    GLU  10           H        GLU  10   3.800  12.517   8.561
   66    HA   GLU  10           HA       GLU  10   4.043  14.692   8.088
   67   1HB   GLU  10          1HB       GLU  10   5.378  14.180  10.339
   68   2HB   GLU  10          2HB       GLU  10   6.736  14.762   9.397
   69   1HG   GLU  10          1HG       GLU  10   6.120  16.852   9.966
   70   2HG   GLU  10          2HG       GLU  10   4.720  16.683   8.916
   71    H    ASP  11           H        ASP  11   5.447  12.745   6.170
   72    HA   ASP  11           HA       ASP  11   6.791  14.718   4.423
   73   1HB   ASP  11          1HB       ASP  11   8.396  13.419   6.087
   74   2HB   ASP  11          2HB       ASP  11   8.203  12.099   4.957
   75    H    ALA  12           H        ALA  12   4.311  13.791   4.009
   76    HA   ALA  12           HA       ALA  12   4.394  12.589   1.423
   77   1HB   ALA  12          1HB       ALA  12   3.865  10.774   3.775
   78   2HB   ALA  12          2HB       ALA  12   2.929  10.556   2.289
   79   3HB   ALA  12          3HB       ALA  12   4.701  10.484   2.223
   80    H    SER  13           H        SER  13   2.803  13.589   0.417
   81    HA   SER  13           HA       SER  13   0.687  14.985   1.578
   82   1HB   SER  13          1HB       SER  13   0.084  14.098  -1.134
   83   2HB   SER  13          2HB       SER  13   0.492  15.709  -0.535
   84    HG   SER  13           HG       SER  13   2.042  13.887  -1.870
   85    HA   PRO  14           HA       PRO  14  -2.542  12.112   2.297
   86   1HB   PRO  14          1HB       PRO  14  -4.814  13.155   1.078
   87   2HB   PRO  14          2HB       PRO  14  -4.110  13.718   2.619
   88   1HG   PRO  14          1HG       PRO  14  -3.982  15.002  -0.069
   89   2HG   PRO  14          2HG       PRO  14  -3.884  15.744   1.552
   90   1HD   PRO  14          1HD       PRO  14  -1.757  15.164  -0.204
   91   2HD   PRO  14          2HD       PRO  14  -1.589  15.642   1.508
   92    H    GLU  15           H        GLU  15  -1.809  12.793  -1.021
   93    HA   GLU  15           HA       GLU  15  -3.233  10.628  -2.280
   94   1HB   GLU  15          1HB       GLU  15  -1.617  12.862  -3.050
   95   2HB   GLU  15          2HB       GLU  15  -0.761  11.443  -3.647
   96   1HG   GLU  15          1HG       GLU  15  -2.612  10.761  -4.988
   97   2HG   GLU  15          2HG       GLU  15  -3.739  11.798  -4.131
   98    H    GLU  16           H        GLU  16  -0.112  10.837  -0.560
   99    HA   GLU  16           HA       GLU  16   0.896   8.328  -1.575
  100   1HB   GLU  16          1HB       GLU  16   1.986  10.438  -0.113
  101   2HB   GLU  16          2HB       GLU  16   1.768   9.189   1.112
  102   1HG   GLU  16          1HG       GLU  16   3.990   9.001   0.227
  103   2HG   GLU  16          2HG       GLU  16   3.067   7.586  -0.253
  104    H    LEU  17           H        LEU  17  -1.140   9.281   1.214
  105    HA   LEU  17           HA       LEU  17  -1.071   6.761   2.548
  106   1HB   LEU  17          1HB       LEU  17  -2.200   9.159   3.114
  107   2HB   LEU  17          2HB       LEU  17  -3.613   8.361   2.454
  108    HG   LEU  17           HG       LEU  17  -2.561   6.400   4.180
  109   1HD1  LEU  17          1HD1      LEU  17  -1.874   7.416   6.212
  110   2HD1  LEU  17          2HD1      LEU  17  -0.920   8.201   4.943
  111   3HD1  LEU  17          3HD1      LEU  17  -2.311   9.043   5.651
  112   1HD2  LEU  17          1HD2      LEU  17  -4.829   6.650   4.312
  113   2HD2  LEU  17          2HD2      LEU  17  -4.359   7.449   5.826
  114   3HD2  LEU  17          3HD2      LEU  17  -4.778   8.428   4.406
  115    H    SER  18           H        SER  18  -3.117   7.904  -0.160
  116    HA   SER  18           HA       SER  18  -4.691   5.533  -0.440
  117   1HB   SER  18          1HB       SER  18  -3.912   7.419  -2.681
  118   2HB   SER  18          2HB       SER  18  -5.406   6.483  -2.504
  119    HG   SER  18           HG       SER  18  -6.057   7.891  -0.880
  120    H    ARG  19           H        ARG  19  -1.395   6.242  -1.343
  121    HA   ARG  19           HA       ARG  19  -1.086   4.059  -3.262
  122   1HB   ARG  19          1HB       ARG  19   0.886   5.029  -3.685
  123   2HB   ARG  19          2HB       ARG  19   0.321   6.338  -2.711
  124   1HG   ARG  19          1HG       ARG  19   2.375   6.072  -1.834
  125   2HG   ARG  19          2HG       ARG  19   1.527   5.035  -0.701
  126   1HD   ARG  19          1HD       ARG  19   2.392   3.091  -1.529
  127   2HD   ARG  19          2HD       ARG  19   2.647   3.771  -3.152
  128    HE   ARG  19           HE       ARG  19   4.241   5.072  -1.092
  129   1HH1  ARG  19          2HH2      ARG  19   4.193   2.491  -3.396
  130   2HH1  ARG  19          1HH2      ARG  19   5.930   2.421  -3.576
  131   1HH2  ARG  19          2HH1      ARG  19   6.463   4.995  -1.289
  132   2HH2  ARG  19          1HH1      ARG  19   7.211   3.818  -2.326
  133    H    TYR  20           H        TYR  20  -0.827   4.464   0.199
  134    HA   TYR  20           HA       TYR  20   0.660   2.060   0.761
  135   1HB   TYR  20          1HB       TYR  20   0.633   3.933   2.322
  136   2HB   TYR  20          2HB       TYR  20  -1.111   3.810   2.510
  137    HD1  TYR  20           1HD      TYR  20  -2.129   2.283   4.047
  138    HD2  TYR  20           2HD      TYR  20   2.074   1.976   3.103
  139    HE1  TYR  20           1HE      TYR  20  -1.823   0.640   5.906
  140    HE2  TYR  20           2HE      TYR  20   2.363   0.402   4.954
  141    HH   TYR  20           HH       TYR  20   1.105  -0.051   7.239
  142    H    TYR  21           H        TYR  21  -2.812   2.867   1.154
  143    HA   TYR  21           HA       TYR  21  -3.830   0.358   1.868
  144   1HB   TYR  21          1HB       TYR  21  -4.876   2.722   0.324
  145   2HB   TYR  21          2HB       TYR  21  -5.821   1.247   0.291
  146    HD1  TYR  21           1HD      TYR  21  -6.279   0.088   2.619
  147    HD2  TYR  21           2HD      TYR  21  -5.357   4.263   2.073
  148    HE1  TYR  21           1HE      TYR  21  -7.361   0.590   4.787
  149    HE2  TYR  21           2HE      TYR  21  -6.529   4.775   4.224
  150    HH   TYR  21           HH       TYR  21  -7.177   2.530   6.546
  151    H    ALA  22           H        ALA  22  -2.999   1.478  -1.436
  152    HA   ALA  22           HA       ALA  22  -3.928  -0.924  -2.736
  153   1HB   ALA  22          1HB       ALA  22  -1.712   0.552  -4.042
  154   2HB   ALA  22          2HB       ALA  22  -3.346   0.179  -4.620
  155   3HB   ALA  22          3HB       ALA  22  -3.075   1.585  -3.569
  156    H    SER  23           H        SER  23  -0.738   0.153  -1.534
  157    HA   SER  23           HA       SER  23   0.714  -2.188  -2.289
  158   1HB   SER  23          1HB       SER  23   1.431   0.232  -1.197
  159   2HB   SER  23          2HB       SER  23   1.615  -0.840   0.201
  160    HG   SER  23           HG       SER  23   2.680  -1.351  -2.385
  161    H    LEU  24           H        LEU  24  -1.191  -1.502   0.662
  162    HA   LEU  24           HA       LEU  24  -0.505  -3.582   2.308
  163   1HB   LEU  24          1HB       LEU  24  -2.282  -2.943   3.502
  164   2HB   LEU  24          2HB       LEU  24  -2.527  -1.734   2.273
  165    HG   LEU  24           HG       LEU  24  -4.102  -3.450   1.126
  166   1HD1  LEU  24          1HD1      LEU  24  -4.607  -5.417   2.053
  167   2HD1  LEU  24          2HD1      LEU  24  -3.192  -5.219   3.103
  168   3HD1  LEU  24          3HD1      LEU  24  -4.779  -4.734   3.683
  169   1HD2  LEU  24          1HD2      LEU  24  -5.953  -2.978   2.901
  170   2HD2  LEU  24          2HD2      LEU  24  -4.694  -1.958   3.649
  171   3HD2  LEU  24          3HD2      LEU  24  -5.219  -1.689   1.970
  172    H    ARG  25           H        ARG  25  -2.639  -3.855  -0.505
  173    HA   ARG  25           HA       ARG  25  -3.224  -6.665  -0.142
  174   1HB   ARG  25          1HB       ARG  25  -4.561  -4.950  -1.525
  175   2HB   ARG  25          2HB       ARG  25  -3.304  -5.099  -2.762
  176   1HG   ARG  25          1HG       ARG  25  -3.713  -7.619  -2.720
  177   2HG   ARG  25          2HG       ARG  25  -5.081  -7.326  -1.648
  178   1HD   ARG  25          1HD       ARG  25  -6.232  -6.064  -3.356
  179   2HD   ARG  25          2HD       ARG  25  -4.799  -5.997  -4.379
  180    HE   ARG  25           HE       ARG  25  -6.688  -8.204  -4.147
  181   1HH1  ARG  25          2HH2      ARG  25  -3.473  -7.364  -5.205
  182   2HH1  ARG  25          1HH2      ARG  25  -3.305  -8.772  -6.212
  183   1HH2  ARG  25          2HH1      ARG  25  -6.467  -9.989  -5.441
  184   2HH2  ARG  25          1HH1      ARG  25  -5.023 -10.220  -6.352
  185    H    HIS  26           H        HIS  26  -0.866  -4.890  -2.103
  186    HA   HIS  26           HA       HIS  26   0.343  -7.210  -3.290
  187   1HB   HIS  26          1HB       HIS  26   0.454  -4.537  -3.821
  188   2HB   HIS  26          2HB       HIS  26   1.948  -4.702  -2.914
  189    HD1  HIS  26           1HD      HIS  26   3.786  -4.734  -4.833
  190    HE1  HIS  26           1HE      HIS  26   2.053  -7.637  -7.411
  191    H    TYR  27           H        TYR  27   0.779  -5.568  -0.244
  192    HA   TYR  27           HA       TYR  27   3.153  -6.839   0.670
  193   1HB   TYR  27          1HB       TYR  27   1.593  -4.742   1.508
  194   2HB   TYR  27          2HB       TYR  27   1.058  -5.961   2.640
  195    HD1  TYR  27           1HD      TYR  27   3.633  -3.641   1.694
  196    HD2  TYR  27           2HD      TYR  27   2.807  -7.151   4.064
  197    HE1  TYR  27           1HE      TYR  27   5.735  -3.268   2.961
  198    HE2  TYR  27           2HE      TYR  27   4.919  -6.756   5.362
  199    HH   TYR  27           HH       TYR  27   7.166  -4.101   4.610
  200    H    LEU  28           H        LEU  28  -0.306  -7.442   1.401
  201    HA   LEU  28           HA       LEU  28  -0.027  -9.872   2.837
  202   1HB   LEU  28          1HB       LEU  28  -2.120  -8.891   2.964
  203   2HB   LEU  28          2HB       LEU  28  -2.179  -8.506   1.259
  204    HG   LEU  28           HG       LEU  28  -2.532 -10.934   0.730
  205   1HD1  LEU  28          1HD1      LEU  28  -1.646 -11.721   3.078
  206   2HD1  LEU  28          2HD1      LEU  28  -3.315 -11.413   3.598
  207   3HD1  LEU  28          3HD1      LEU  28  -2.982 -12.573   2.290
  208   1HD2  LEU  28          1HD2      LEU  28  -4.931 -10.880   1.776
  209   2HD2  LEU  28          2HD2      LEU  28  -4.453  -9.249   2.289
  210   3HD2  LEU  28          3HD2      LEU  28  -4.432  -9.677   0.568
  211    H    ASN  29           H        ASN  29  -0.303  -9.348  -0.710
  212    HA   ASN  29           HA       ASN  29  -0.008 -12.183  -1.318
  213   1HB   ASN  29          1HB       ASN  29  -0.350  -9.640  -2.819
  214   2HB   ASN  29          2HB       ASN  29   0.704 -10.785  -3.628
  215   1HD2  ASN  29          1HD2      ASN  29  -2.576 -10.001  -3.040
  216   2HD2  ASN  29          2HD2      ASN  29  -3.193 -11.550  -3.659
  217    H    LEU  30           H        LEU  30   2.326  -9.904  -0.314
  218    HA   LEU  30           HA       LEU  30   4.592 -11.203  -1.675
  219   1HB   LEU  30          1HB       LEU  30   4.958  -9.003  -1.639
  220   2HB   LEU  30          2HB       LEU  30   4.057  -8.697  -0.202
  221    HG   LEU  30           HG       LEU  30   6.619 -10.102   0.343
  222   1HD1  LEU  30          1HD1      LEU  30   7.644  -8.832  -1.267
  223   2HD1  LEU  30          2HD1      LEU  30   6.533  -7.450  -1.082
  224   3HD1  LEU  30          3HD1      LEU  30   7.774  -7.770   0.142
  225   1HD2  LEU  30          1HD2      LEU  30   6.703  -8.306   2.104
  226   2HD2  LEU  30          2HD2      LEU  30   5.167  -7.681   1.489
  227   3HD2  LEU  30          3HD2      LEU  30   5.240  -9.301   2.167
  228    H    VAL  31           H        VAL  31   3.123 -11.065   1.526
  229    HA   VAL  31           HA       VAL  31   5.037 -13.174   2.500
  230    HB   VAL  31           HB       VAL  31   3.372 -11.068   3.826
  231   1HG1  VAL  31          1HG1      VAL  31   3.882 -11.984   6.068
  232   2HG1  VAL  31          2HG1      VAL  31   2.752 -13.003   5.173
  233   3HG1  VAL  31          3HG1      VAL  31   4.451 -13.493   5.308
  234   1HG2  VAL  31          1HG2      VAL  31   5.388 -10.232   4.488
  235   2HG2  VAL  31          2HG2      VAL  31   6.099 -11.830   4.784
  236   3HG2  VAL  31          3HG2      VAL  31   6.025 -11.196   3.145
  237    H    THR  32           H        THR  32   1.831 -12.957   1.276
  238    HA   THR  32           HA       THR  32   0.075 -14.334   1.191
  239    HB   THR  32           HB       THR  32   1.524 -15.510  -0.236
  240    HG1  THR  32           1HG      THR  32   0.050 -16.881  -0.412
  241   1HG2  THR  32          1HG2      THR  32   3.449 -16.088   1.092
  242   2HG2  THR  32          2HG2      THR  32   2.467 -17.152   2.133
  243   3HG2  THR  32          3HG2      THR  32   2.753 -17.557   0.424
  244    H    ARG  33           H        ARG  33   0.872 -13.452   3.746
  245    HA   ARG  33           HA       ARG  33  -0.807 -14.985   5.556
  246   1HB   ARG  33          1HB       ARG  33   1.869 -15.909   5.155
  247   2HB   ARG  33          2HB       ARG  33   1.908 -15.150   6.711
  248   1HG   ARG  33          1HG       ARG  33  -0.423 -16.994   6.135
  249   2HG   ARG  33          2HG       ARG  33   1.168 -17.716   6.223
  250   1HD   ARG  33          1HD       ARG  33   1.503 -16.590   8.458
  251   2HD   ARG  33          2HD       ARG  33  -0.189 -16.101   8.421
  252    HE   ARG  33           HE       ARG  33   0.931 -18.743   8.950
  253   1HH1  ARG  33          2HH2      ARG  33  -2.016 -17.199   7.902
  254   2HH1  ARG  33          1HH2      ARG  33  -3.002 -18.627   8.162
  255   1HH2  ARG  33          2HH1      ARG  33  -0.359 -20.518   9.360
  256   2HH2  ARG  33          1HH1      ARG  33  -2.065 -20.448   9.067
  257    H    GLN  34           H        GLN  34  -0.429 -12.174   4.748
  258    HA   GLN  34           HA       GLN  34   0.116 -10.973   7.418
  259   1HB   GLN  34          1HB       GLN  34   1.674 -10.511   5.241
  260   2HB   GLN  34          2HB       GLN  34   0.468  -9.245   4.999
  261   1HG   GLN  34          1HG       GLN  34   1.984  -9.705   7.612
  262   2HG   GLN  34          2HG       GLN  34   2.498  -8.583   6.357
  263   1HE2  GLN  34          1HE2      GLN  34   0.535  -8.857   9.218
  264   2HE2  GLN  34          2HE2      GLN  34  -0.282  -7.322   8.917
  265    H    ARG  35           H        ARG  35  -1.771 -10.505   8.320
  266    HA   ARG  35           HA       ARG  35  -3.591  -8.722   6.932
  267   1HB   ARG  35          1HB       ARG  35  -4.359 -11.096   6.366
  268   2HB   ARG  35          2HB       ARG  35  -4.641 -11.343   8.093
  269   1HG   ARG  35          1HG       ARG  35  -6.172  -9.214   7.895
  270   2HG   ARG  35          2HG       ARG  35  -6.032  -9.477   6.147
  271   1HD   ARG  35          1HD       ARG  35  -6.793 -11.908   6.654
  272   2HD   ARG  35          2HD       ARG  35  -7.175 -11.309   8.281
  273    HE   ARG  35           HE       ARG  35  -8.327  -9.762   6.062
  274   1HH1  ARG  35          2HH2      ARG  35  -8.946 -12.395   8.262
  275   2HH1  ARG  35          1HH2      ARG  35 -10.679 -12.240   8.164
  276   1HH2  ARG  35          2HH1      ARG  35 -10.573  -9.724   5.762
  277   2HH2  ARG  35          1HH1      ARG  35 -11.567 -10.778   6.710
  278    H    TYR  36           H        TYR  36  -4.596  -7.426   8.376
  279    HA   TYR  36           HA       TYR  36  -3.676  -6.993  10.980
  280   1HB   TYR  36          1HB       TYR  36  -4.934  -5.426   9.447
  281   2HB   TYR  36          2HB       TYR  36  -6.406  -6.315   9.815
  282    HD1  TYR  36           1HD      TYR  36  -3.656  -4.255  11.287
  283    HD2  TYR  36           2HD      TYR  36  -7.622  -5.865  11.850
  284    HE1  TYR  36           1HE      TYR  36  -3.974  -2.783  13.270
  285    HE2  TYR  36           2HE      TYR  36  -7.943  -4.396  13.822
  286    HH   TYR  36           HH       TYR  36  -7.076  -2.598  14.982
  287   1HN   NH2  37          NH1       NHE  37  -4.172  -7.866  13.014
  288   2HN   NH2  37          NH2       NHE  37  -5.428  -9.089  13.194